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Screening compounds

Triptocallic acid B

Also known as (2R,4aS,6aR,6aS,8aR,10S,12aR,14aS,14bR)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,6a,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid

CAS 190906-63-9Formula C30H48O3Molar mass 456.71 g/mol
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Triptocallic acid B chemical structure, C30H48O3, CAS 190906-63-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
190906-63-9
Formula
C30H48O3
Molar mass
456.71 g/mol
HS code
291819
Category
Screening compounds

What is Triptocallic acid B?

Plain description, key identifiers and synonyms

Triptocallic acid B has been reported in Tripterygium wilfordii.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R,4aS,6aR,6aS,8aR,10S,12aR,14aS,14bR)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,6a,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid
CAS number
190906-63-9
Molecular formula
C30H48O3
InChIKey
GQYYMZGTKQDPNR-HPKRVGODSA-N
InChI
InChI=1S/C30H48O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h8,19,21-23,31H,9-18H2,1-7H3,(H,32,33)/t19-,21-,22+,23-,26+,27+,28+,29+,30-/m0/s1
Canonical SMILES
CC1(C(=O)O)CCC2(C)CCC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC3(C)C2C1
Isomeric SMILES
C[C@]12CC[C@@](C[C@H]1[C@@]3(CC[C@H]4C(=CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)[C@]3(CC2)C)C)(C)C(=O)O

Synonyms

  • (2R,4aS,6aR,6aS,8aR,10S,12aR,14aS,14bR)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,6a,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic 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
456.71 g/molcalc.
Exact mass
456.3603 Dacalc.
LogP (octanol/water)
7.23calc.
Topological polar surface area
57.53 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
1calc.
Heavy atoms
33calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.9calc.
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=C2C(CCC3C2CCC2CCCCC23)C2CCCCC2C1

C1=C2C(CCC3C2CCC2CCCCC23)C2CCCCC2C1

5 rings, 22 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.

Triptocallic acid B suppliers

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

Frequently asked questions

Quick answers about Triptocallic acid B, based on the data on this page

What is Triptocallic acid B?

Triptocallic acid B has been reported in Tripterygium wilfordii.

What is the CAS number of Triptocallic acid B?

The CAS registry number of Triptocallic acid B is 190906-63-9.

What is the molecular formula and weight of Triptocallic acid B?

The molecular formula of Triptocallic acid B is C30H48O3 and its molar mass is 456.71 g/mol.

What is Triptocallic acid B used for?

Known uses and roles of Triptocallic acid B include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Triptocallic acid B hazardous?

No GHS hazard classification for Triptocallic acid B 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 Triptocallic acid B?

Triptocallic acid B 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 Triptocallic acid B?

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

What is the price of Triptocallic acid B?

Suppliers quote Triptocallic acid B 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 Triptocallic acid B

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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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