Acantrifoic acid A

Inquiry

For Research Use Only.

Category

Terpenes

Cat.No.

NP6536

CAS

654663-85-1

Product Name

Acantrifoic acid A

Structure

Product Details

Description

Acantrifoic acid A isolated from the herbs of Acanthopanax trifoliatus.

Synonyms

3alpha-Acetoxy-30-hydroxylup-20(29)-ene-23,28-dioic acid

IUPAC Name

(1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bS)-9-acetyloxy-1-(3-hydroxyprop-1-en-2-yl)-5a,5b,8,11a-tetramethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,8-dicarboxylic acid

Molecular Weight

544.7

Molecular Formula

C32H48O7

Canonical SMILES

CC(=O)OC1CCC2(C3CCC4C5C(CCC5(CCC4(C3(CCC2C1(C)C(=O)O)C)C)C(=O)O)C(=C)CO)C

InChI

InChI=1S/C32H48O7/c1-18(17-33)20-9-14-32(27(37)38)16-15-29(4)21(25(20)32)7-8-22-28(3)12-11-24(39-19(2)34)31(6,26(35)36)23(28)10-13-30(22,29)5/h20-25,33H,1,7-17H2,2-6H3,(H,35,36)(H,37,38)/t20-,21+,22+,23+,24+,25+,28+,29+,30+,31-,32-/m0/s1

InChIKey

LIKVRUAPPXCRHS-ZESURFQCSA-N

Boiling Point

660.7±45.0 °C(Predicted)

Melting Point

278-279 °C (methanol )

Purity

> 95%

Density

1.21±0.1 g/cm3(Predicted)

Appearance

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