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Heterocyclic compounds

Orb1307781

Formula C47H75NO17Molar mass 926.11 g/molEC 215-749-0
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Harmful or irritant, Serious health hazard
Get quotes Safety data
Orb1307781 chemical structure, C47H75NO17
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
Light yellow powder
Melting point
>160
Solubility
In water, 3.60 × 10⁺² mg/L at 24 °C
HS code
293220
Category
Heterocyclic compounds
Illustrative photo, off-white crystalline powder in fibre drums in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Orb1307781?

Plain description, key identifiers and synonyms

Orb1307781 is a chemical substance with the molecular formula C47H75NO17 and a molar mass of 926.11 g/mol. The IUPAC name is (1S,3R,4R,7R,9R,11R,15S,16R,17R,18S,19E,21E,25E,27E,29E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,3R,4R,7R,9R,11R,15S,16R,17R,18S,19E,21E,25E,27E,29E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid
EC number
215-749-0
Molecular formula
C47H75NO17
InChIKey
VQOXZBDYSJBXMA-PWRFTNNPSA-N
InChI
InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16?/t27-,28-,29-,30+,31+,32+,33+,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1
Canonical SMILES
CC1C=CC=CCCC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O
Isomeric SMILES
C[C@H]1/C=C/C=C/CC/C=C/C=C/C=C/C=C[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H]([C@@H](CC[C@H](C[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Appearance
Light yellow powderexp.
Odour
Odor suggestive of cerealsexp.
Melting point
>160exp.
Solubility
In water, 3.60 × 10⁺² mg/L at 24 °Cexp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
926.11 g/molcalc.
Exact mass
925.5035 Dacalc.
LogP (octanol/water)
0.94calc.
Topological polar surface area
319.6 Ųcalc.
Hydrogen bond donors
12calc.
Hydrogen bond acceptors
17calc.
Rotatable bonds
3calc.
Heavy atoms
65calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.7calc.
Formal charge
0calc.
Stereocentres
19calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1CCCCCCCCCCCC2CCCC(CC(OC3CCCCO3)C=CC=CC=CC=CCCC=CC=CCCCCO1)O2

O=C1CCCCCCCCCCCC2CCCC(CC(OC3CCCCO3)C=CC=CC=CC=CCCC=CC=CCCCCO1)O2

3 rings, 47 atoms.

27 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H300Fatal if swallowed.
  • H335May cause respiratory irritation.
  • H372Causes damage to organs through prolonged or repeated exposure.
Precautionary statements (13)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Orb1307781 suppliers

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Orb1307781 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Veterinary medication:.

An experimental teratogen. An anti-biotic.

Antimycotic polyene antibiotic... for local treatment of vulvovaginal candidiasis (monoliasis).

Medicine (antifungal antibiotics), feed additive.

How it is made

Vandeputte, US patent 2,832,719 (1958 to Olin Mathieson), Renella, US patent 3,517,100 (1970 to American Cyanamid)

Polyene antifungal antibiotic complex containing 3 biologically active compounds, A1,A2,A3. Produced by Streptomyces noursei, S. aureus and other Streptomyces spp.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Orb1307781 is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Orb1307781 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1307781, based on the data on this page

What is Orb1307781?

Orb1307781 is a chemical substance with the molecular formula C47H75NO17 and a molar mass of 926.11 g/mol.

What is the molecular formula and weight of Orb1307781?

The molecular formula of Orb1307781 is C47H75NO17 and its molar mass is 926.11 g/mol.

What is Orb1307781 used for?

Veterinary medication:. An experimental teratogen. An anti-biotic. Antimycotic polyene antibiotic... for local treatment of vulvovaginal candidiasis (monoliasis). Medicine (antifungal antibiotics), feed additive.

Is Orb1307781 hazardous?

Orb1307781 carries the GHS signal word "Danger". Main hazards: fatal if swallowed, may cause respiratory irritation, causes damage to organs through prolonged or repeated exposure. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Orb1307781?

Orb1307781 is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1307781?

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What is the price of Orb1307781?

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Guides for buyers

Practical guides that help when you source, ship or handle Orb1307781

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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