3α-Acetoxy-20(29)-lupene-23,28-dioic acid

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For Research Use Only.

Category

Triterpenoids

Cat.No.

NP7094

CAS

83725-41-1

Product Name

3α-Acetoxy-20(29)-lupene-23,28-dioic acid

Structure

Product Details

Description

3α-Acetoxy-20(29)-lupene-23,28-dioic acid is a natural compound isolated from the barks of Glochidion macrophyllum.

Synonyms

3alpha-Acetoxy-20(29)-lupene-23,28-dioic acid; 83725-41-1; (1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,8-dicarboxylic acid

IUPAC Name

(1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-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

528.73

Molecular Formula

C32H48O6

Canonical SMILES

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C(=O)O)OC(=O)C)C)C(=O)O

InChI

InChI=1S/C32H48O6/c1-18(2)20-10-15-32(27(36)37)17-16-29(5)21(25(20)32)8-9-22-28(4)13-12-24(38-19(3)33)31(7,26(34)35)23(28)11-14-30(22,29)6/h20-25H,1,8-17H2,2-7H3,(H,34,35)(H,36,37)/t20-,21+,22+,23+,24+,25+,28+,29+,30+,31-,32-/m0/s1

InChIKey

JVQNCWJJEYAODC-ZESURFQCSA-N

Purity

94.0%

Appearance

Cryst.

Form

Powder

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