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Heterocyclic building blocks

Orb1941657

Formula C34H46O13Molar mass 662.73 g/mol
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Orb1941657 chemical structure, C34H46O13
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C34H46O13
Molar mass
662.73 g/mol
HS code
293299
Category
Heterocyclic building blocks

What is Orb1941657?

Plain description, key identifiers and synonyms

Orb1941657 is a chemical substance with the molecular formula C34H46O13 and a molar mass of 662.73 g/mol. The IUPAC name is [(1S,2S,4S,5R,6S,7S,8S,9S)-4,5-diacetyloxy-2,12-dihydroxy-2,10,10-trimethyl-8-(2-methylpropanoyloxy)-6-(2-methylpropanoyloxymethyl)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,2S,4S,5R,6S,7S,8S,9S)-4,5-diacetyloxy-2,12-dihydroxy-2,10,10-trimethyl-8-(2-methylpropanoyloxy)-6-(2-methylpropanoyloxymethyl)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
Molecular formula
C34H46O13
InChIKey
HAHJPPZGVANYSD-NFMALKHPSA-N
InChI
InChI=1S/C34H46O13/c1-17(2)28(38)42-16-33-26(44-20(6)36)22(43-19(5)35)15-32(9,41)34(33)25(37)23(31(7,8)47-34)24(45-29(39)18(3)4)27(33)46-30(40)21-13-11-10-12-14-21/h10-14,17-18,22-27,37,41H,15-16H2,1-9H3/t22-,23+,24-,25?,26-,27+,32-,33-,34-/m0/s1
Canonical SMILES
CC(=O)OC1CC(C)(O)C23OC(C)(C)C(C(OC(=O)C(C)C)C(OC(=O)c4ccccc4)C2(COC(=O)C(C)C)C1OC(C)=O)C3O
Isomeric SMILES
CC(C)C(=O)OC[C@@]12[C@H]([C@H](C[C@]([C@@]13C([C@@H]([C@@H]([C@H]2OC(=O)C4=CC=CC=C4)OC(=O)C(C)C)C(O3)(C)C)O)(C)O)OC(=O)C)OC(=O)C

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
662.73 g/molcalc.
Exact mass
662.2938 Dacalc.
LogP (octanol/water)
2.52calc.
Topological polar surface area
181.2 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
13calc.
Rotatable bonds
9calc.
Heavy atoms
47calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.68calc.
Formal charge
0calc.
Stereocentres
9calc.
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=C(OC1CC2COC3(CCCCC13)C2)c1ccccc1

O=C(OC1CC2COC3(CCCCC13)C2)c1ccccc1

4 rings, 21 atoms.

21 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.

Orb1941657 suppliers

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Orb1941657 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 Orb1941657 is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb1941657 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1941657, based on the data on this page

What is Orb1941657?

Orb1941657 is a chemical substance with the molecular formula C34H46O13 and a molar mass of 662.73 g/mol. The IUPAC name is [(1S,2S,4S,5R,6S,7S,8S,9S)-4,5-diacetyloxy-2,12-dihydroxy-2,10,10-trimethyl-8-(2-methylpropanoyloxy)-6-(2-methylpropanoyloxymethyl)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate.

What is the molecular formula and weight of Orb1941657?

The molecular formula of Orb1941657 is C34H46O13 and its molar mass is 662.73 g/mol.

What is Orb1941657 used for?

Known uses and roles of Orb1941657 include cooling agents in flavors and fragrances and building blocks in research and laboratory.

Is Orb1941657 hazardous?

No GHS hazard classification for Orb1941657 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 Orb1941657?

Orb1941657 is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1941657?

Post a free request on CompoundList and suppliers of Orb1941657 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1941657?

Suppliers quote Orb1941657 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 Orb1941657

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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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