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Heterocyclic building blocks

Orb1681453

Formula C34H46O16Molar mass 710.73 g/mol
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Orb1681453 chemical structure, C34H46O16
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C34H46O16
Molar mass
710.73 g/mol
HS code
293220
Category
Heterocyclic building blocks

What is Orb1681453?

Plain description, key identifiers and synonyms

Orb1681453 is a chemical substance with the molecular formula C34H46O16 and a molar mass of 710.73 g/mol. The IUPAC name is methyl (1R,3R,6R,8R,13S,15R,16S,17S)-3-[(E)-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (1R,3R,6R,8R,13S,15R,16S,17S)-3-[(E)-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
Molecular formula
C34H46O16
InChIKey
OWJYNFLAIMDDLT-ILKQQYGVSA-N
InChI
InChI=1S/C34H46O16/c1-12(2)13(3)7-19(37)49-25-27-33-11-46-34(27,31(44)45-6)28(42)23(41)26(33)32(5)9-16(36)24(14(4)15(32)8-18(33)48-29(25)43)50-30-22(40)21(39)20(38)17(10-35)47-30/h7,12,15,17-18,20-23,25-28,30,35,38-42H,8-11H2,1-6H3/b13-7+/t15-,17+,18+,20+,21-,22+,23+,25+,26?,27?,28-,30-,32-,33+,34-/m0/s1
Canonical SMILES
COC(=O)C12OCC34C(CC5C(C)=C(OC6OC(CO)C(O)C(O)C6O)C(=O)CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C(C)C)C24
Isomeric SMILES
CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45C2[C@H]([C@@H]([C@](C4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)C)(OC5)C(=O)OC)O)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)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
710.73 g/molcalc.
Exact mass
710.2786 Dacalc.
LogP (octanol/water)
-1.59calc.
Topological polar surface area
245 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
16calc.
Rotatable bonds
7calc.
Heavy atoms
50calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.77calc.
Formal charge
0calc.
Stereocentres
15calc.
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=C1CC2C3CCC4C5CC(=O)C(OC6CCCCO6)=CC5CC(O1)C24CO3

O=C1CC2C3CCC4C5CC(=O)C(OC6CCCCO6)=CC5CC(O1)C24CO3

6 rings, 28 atoms.

22 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.

Orb1681453 suppliers

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Orb1681453 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

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 Orb1681453 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 Orb1681453 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1681453, based on the data on this page

What is Orb1681453?

Orb1681453 is a chemical substance with the molecular formula C34H46O16 and a molar mass of 710.73 g/mol.

What is the molecular formula and weight of Orb1681453?

The molecular formula of Orb1681453 is C34H46O16 and its molar mass is 710.73 g/mol.

What is Orb1681453 used for?

Known uses and roles of Orb1681453 include cooling agents in flavors and fragrances and building blocks in research and laboratory.

Is Orb1681453 hazardous?

No GHS hazard classification for Orb1681453 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 Orb1681453?

Orb1681453 is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1681453?

Post a free request on CompoundList and suppliers of Orb1681453 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1681453?

Suppliers quote Orb1681453 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 Orb1681453

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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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