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Screening compounds

Botryoloic acid

Also known as (3R,3aS,4S,5R,7S,7aR)-7-acetyloxy-3a-hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2,4,5,6,7,7a-hexahydroindene-4-carboxylic acid, (3R,3AR,4S,5R,7S,7ar)-7-(acetyloxy)-3a-hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-octahydro-1H-indene-4-carboxylate

CAS 75207-64-6Formula C17H28O6Molar mass 328.41 g/mol
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Botryoloic acid chemical structure, C17H28O6, CAS 75207-64-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
75207-64-6
Formula
C17H28O6
Molar mass
328.41 g/mol
HS code
291819
Category
Screening compounds

What is Botryoloic acid?

Plain description, key identifiers and synonyms

Botryoloic acid is an iridoid monoterpenoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3R,3aS,4S,5R,7S,7aR)-7-acetyloxy-3a-hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2,4,5,6,7,7a-hexahydroindene-4-carboxylic acid
CAS number
75207-64-6
Molecular formula
C17H28O6
InChIKey
OLOQSHYLOVYRGK-SVLWDWOGSA-N
InChI
InChI=1S/C17H28O6/c1-9-6-11(23-10(2)19)13-15(3,4)7-16(5,8-18)17(13,22)12(9)14(20)21/h9,11-13,18,22H,6-8H2,1-5H3,(H,20,21)/t9-,11+,12-,13+,16-,17-/m1/s1
Canonical SMILES
CC(=O)OC1CC(C)C(C(=O)O)C2(O)C1C(C)(C)CC2(C)CO
Isomeric SMILES
C[C@@H]1C[C@@H]([C@@H]2[C@]([C@H]1C(=O)O)([C@@](CC2(C)C)(C)CO)O)OC(=O)C

Synonyms

  • (3R,3aS,4S,5R,7S,7aR)-7-acetyloxy-3a-hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2,4,5,6,7,7a-hexahydroindene-4-carboxylic acid
  • (3R,3AR,4S,5R,7S,7ar)-7-(acetyloxy)-3a-hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-octahydro-1H-indene-4-carboxylate

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
328.41 g/molcalc.
Exact mass
328.1886 Dacalc.
LogP (octanol/water)
1.43calc.
Topological polar surface area
104.1 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
3calc.
Heavy atoms
23calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.88calc.
Formal charge
0calc.
Stereocentres
6calc.
Lipinski rule of five
Passes (0 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, C1CCC2CCCC2C1

C1CCC2CCCC2C1

2 rings, 9 atoms, the Hydrindane ring system.

204 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.

Botryoloic acid suppliers

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Botryoloic acid 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 Botryoloic acid is traded under.

HS 2918.19Indicative HS code

Carboxylic acids with alcohol function but without other oxygen function, their…

World exports in 2024
$1.37B
+0.5% vs 2023, imports $1.18B
2019 to 2024
Top exporters
  1. China23.7%
  2. Italy14.7%
  3. India * partner reported12.0%
Top importers
  1. Germany11.7%
  2. South Korea9.8%
  3. Italy9.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Botryoloic acid, based on the data on this page

What is Botryoloic acid?

Botryoloic acid is an iridoid monoterpenoid.

What is the CAS number of Botryoloic acid?

The CAS registry number of Botryoloic acid is 75207-64-6.

What is the molecular formula and weight of Botryoloic acid?

The molecular formula of Botryoloic acid is C17H28O6 and its molar mass is 328.41 g/mol.

What is Botryoloic acid used for?

Known uses and roles of Botryoloic acid include cooling agents in flavors and fragrances, building blocks in research and laboratory and screening compounds in research and laboratory.

Is Botryoloic acid hazardous?

No GHS hazard classification for Botryoloic acid 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 Botryoloic acid?

Botryoloic acid is usually classified under HS code 291819 (Carboxylic acids with alcohol function but without other oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Botryoloic acid?

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

What is the price of Botryoloic acid?

Suppliers quote Botryoloic acid 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 Botryoloic acid

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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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