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Heterocyclic building blocks

Orb1992707

CAS 97399-97-8Formula C41H62O14Molar mass 778.93 g/mol
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Orb1992707 chemical structure, C41H62O14, CAS 97399-97-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
97399-97-8
Formula
C41H62O14
Molar mass
778.93 g/mol
HS code
293220
Category
Heterocyclic building blocks

What is Orb1992707?

Plain description, key identifiers and synonyms

Orb1992707 is a chemical substance with the molecular formula C41H62O14 and a molar mass of 778.93 g/mol. Its CAS registry number is 97399-97-8. The IUPAC name is (5R,8S,16S,19R,22R)-8-[(2R,4R,5R,6R)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(5R,8S,16S,19R,22R)-8-[(2R,4R,5R,6R)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
CAS number
97399-97-8
Molecular formula
C41H62O14
InChIKey
UTQDRWSHVALSEO-UICQOQLZSA-N
InChI
InChI=1S/C41H62O14/c1-20-36(43)29(45-6)16-34(49-20)54-37-21(2)50-32(15-28(37)42)55-38-22(3)51-33(17-30(38)46-7)52-25-12-13-40(4)24(14-25)9-10-26-27(40)11-8-23-18-47-41(5)35(23)31(19-48-41)53-39(26)44/h9,18,20-22,25-38,42-43H,8,10-17,19H2,1-7H3/t20-,21+,22+,25-,26?,27?,28-,29+,30+,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-/m0/s1
Canonical SMILES
COC1CC(OC2C(O)CC(OC3C(C)OC(OC4CCC5(C)C(=CCC6C(=O)OC7COC8(C)OC=C(CCC65)C78)C4)CC3OC)OC2C)OC(C)C1O
Isomeric SMILES
C[C@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@H]3OC)O[C@H]4CC[C@@]5(C6CCC7=CO[C@@]8([C@H]7[C@@H](CO8)OC(=O)C6CC=C5C4)C)C)C)C)OC)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

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

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
778.93 g/molcalc.
Exact mass
778.414 Dacalc.
LogP (octanol/water)
4.03calc.
Topological polar surface area
159.1 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
8calc.
Heavy atoms
55calc.
Rings
8calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.88calc.
Formal charge
0calc.
Stereocentres
19calc.
Lipinski rule of five
Fails (2 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=C1OC2COC3OC=C(CCC4C1CC=C1CC(OC5CCC(OC6CCC(OC7CCCCO7)CO6)CO5)CCC14)C23

O=C1OC2COC3OC=C(CCC4C1CC=C1CC(OC5CCC(OC6CCC(OC7CCCCO7)CO6)CO5)CCC14)C23

8 rings, 44 atoms.

7 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Orb1992707 suppliers

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Orb1992707 price

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Uses and applications

What the substance is used for, by industry and function

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 Orb1992707 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 Orb1992707 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1992707, based on the data on this page

What is Orb1992707?

Orb1992707 is a chemical substance with the molecular formula C41H62O14 and a molar mass of 778.93 g/mol. Its CAS registry number is 97399-97-8.

What is the CAS number of Orb1992707?

The CAS registry number of Orb1992707 is 97399-97-8.

What is the molecular formula and weight of Orb1992707?

The molecular formula of Orb1992707 is C41H62O14 and its molar mass is 778.93 g/mol.

What is Orb1992707 used for?

Known uses and roles of Orb1992707 include building blocks in research and laboratory.

Is Orb1992707 hazardous?

No GHS hazard classification for Orb1992707 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Orb1992707?

Orb1992707 is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1992707?

Post a free request on CompoundList and suppliers of Orb1992707 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1992707?

Suppliers quote Orb1992707 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Orb1992707

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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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