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Carboxylic acids and anhydrides

Roburic acid

Also known as 3-[(1S,2S,4aR,4bS,6aR,9R,10S,10aR,12aR)-1,4a,4b,6a,9,10-hexamethyl-2-prop-1-en-2-yl-2,3,4,5,6,7,8,9,10,10a,12,12a-dodecahydrochrysen-1-yl]propanoic acid, 3-((1S,2S,4aR,4bS,6aR,9R,10S,10aR,12aR)-1,4a,4b,6a,9,10-hexamethyl-2-prop-1-en-2-yl-2,3,4,5,6,7,8,9,10,10a,12,12a-dodecahydrochrysen-1-yl)propanoic acid, Roburic-acid

CAS 6812-81-3Formula C30H48O2Molar mass 440.71 g/mol
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Roburic acid chemical structure, C30H48O2, CAS 6812-81-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6812-81-3
Formula
C30H48O2
Molar mass
440.71 g/mol
HS code
291620
Category
Carboxylic acids and anhydrides

What is Roburic acid?

Plain description, key identifiers and synonyms

Roburic acid is a tetracyclic triterpenoid with formula C30H40O2 that is isolated from the roots of Gentiana dahurica and Gentiana macrophylla. It has a role as a plant metabolite. It is a monocarboxylic acid, a tetracyclic triterpenoid and an olefinic compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[(1S,2S,4aR,4bS,6aR,9R,10S,10aR,12aR)-1,4a,4b,6a,9,10-hexamethyl-2-prop-1-en-2-yl-2,3,4,5,6,7,8,9,10,10a,12,12a-dodecahydrochrysen-1-yl]propanoic acid
CAS number
6812-81-3
Molecular formula
C30H48O2
MDL number
MFCD09953817
InChIKey
RPPYCVULPFKBOG-CSHKLQQTSA-N
InChI
InChI=1S/C30H48O2/c1-19(2)22-12-16-30(8)24(28(22,6)15-13-25(31)32)10-9-23-26-21(4)20(3)11-14-27(26,5)17-18-29(23,30)7/h9,20-22,24,26H,1,10-18H2,2-8H3,(H,31,32)/t20-,21+,22+,24-,26+,27-,28+,29-,30-/m1/s1
Canonical SMILES
C=C(C)C1CCC2(C)C(CC=C3C4C(C)C(C)CCC4(C)CCC32C)C1(C)CCC(=O)O
Isomeric SMILES
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@H]([C@]4(C)CCC(=O)O)C(=C)C)C)[C@@H]2[C@H]1C)C)C

Synonyms

  • 3-[(1S,2S,4aR,4bS,6aR,9R,10S,10aR,12aR)-1,4a,4b,6a,9,10-hexamethyl-2-prop-1-en-2-yl-2,3,4,5,6,7,8,9,10,10a,12,12a-dodecahydrochrysen-1-yl]propanoic acid
  • 3-((1S,2S,4aR,4bS,6aR,9R,10S,10aR,12aR)-1,4a,4b,6a,9,10-hexamethyl-2-prop-1-en-2-yl-2,3,4,5,6,7,8,9,10,10a,12,12a-dodecahydrochrysen-1-yl)propanoic acid
  • Roburic-acid
  • Roburic acid (Standard)
  • 3,4-Secoursa-4(23),12-dien-3-oicacid(7CI)
  • 3-[(1S,2S,4aR,4bS,6aR,9R,10S,10aR,12aR)-2-isopropenyl-1,4a,4b,6a,9,10-hexamethyl-2,3,4,5,6,7,8,9,10,10a,12,12a-dodecahydrochrysen-1-yl]propanoic acid

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
440.71 g/molcalc.
Exact mass
440.3654 Dacalc.
LogP (octanol/water)
8.28calc.
Topological polar surface area
37.3 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
4calc.
Heavy atoms
32calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.83calc.
Formal charge
0calc.
Stereocentres
9calc.
Lipinski rule of five
Passes (1 violation)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, C1=C2C3CCCCC3CCC2C2CCCCC2C1

C1=C2C3CCCCC3CCC2C2CCCCC2C1

4 rings, 18 atoms.

10 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.

Roburic acid suppliers

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Where suppliers are based

4 suppliers in 1 country

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Roburic 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

Roles

  • eukaryotic metabolite
  • metabolite
  • plant metabolite

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 Roburic acid is traded under.

HS 2916.20Indicative HS code

Cyclanic, cyclenic or cycloterpenic monocarboxylic acids, their anhydrides, halides…

World exports in 2024
$489M
−6.1% vs 2023, imports $608M
2019 to 2024
Top exporters
  1. China45.5%
  2. India * partner reported18.6%
  3. Japan11.2%
Top importers
  1. Brazil20.3%
  2. United States15.7%
  3. India * partner reported12.8%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Roburic acid?

Roburic acid is a tetracyclic triterpenoid with formula C30H40O2 that is isolated from the roots of Gentiana dahurica and Gentiana macrophylla. It has a role as a plant metabolite. It is a monocarboxylic acid, a tetracyclic triterpenoid and an olefinic compound.

What is the CAS number of Roburic acid?

The CAS registry number of Roburic acid is 6812-81-3.

What is the molecular formula and weight of Roburic acid?

The molecular formula of Roburic acid is C30H48O2 and its molar mass is 440.71 g/mol.

What is Roburic acid used for?

Known uses and roles of Roburic acid include eukaryotic metabolite, metabolite and plant metabolite.

Is Roburic acid hazardous?

No GHS hazard classification for Roburic 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 Roburic acid?

Roburic acid is usually classified under HS code 291620 (Cyclanic, cyclenic or cycloterpenic monocarboxylic acids, their anhydrides, halides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Roburic acid?

CompoundList lists 4 suppliers of Roburic acid in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Roburic acid?

Suppliers quote Roburic 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 Roburic 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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