Lup-20(29)-en-28-oicacid, 3-(acetyloxy)-27-hydroxy-, methyl ester, (3a)- (9CI)

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For Research Use Only.

Category

Terpenes

Cat.No.

NP6621

CAS

263844-80-0

Product Name

Lup-20(29)-en-28-oicacid, 3-(acetyloxy)-27-hydroxy-, methyl ester, (3a)- (9CI)

Structure

Product Details

Description

3-Acetoxy-27-hydroxy-20(29)-lupen-28-oic acid methyl ester can be found in the herbs of Peganum harmala.

Synonyms

(3alpha)-3-(Acetyloxy)-27-hydroxy-Lup-20(29)-en-28-oic acid methyl ester

IUPAC Name

methyl (1R,3aS,5aS,5bR,7aR,11aR,11bR,13aR,13bR)-9-acetyloxy-5a-(hydroxymethyl)-5b,8,8,11a-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-carboxylate

Molecular Weight

528.8

Molecular Formula

C33H52O5

Canonical SMILES

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

InChI

InChI=1S/C33H52O5/c1-20(2)22-11-16-32(28(36)37-8)17-18-33(19-34)23(27(22)32)9-10-25-30(6)14-13-26(38-21(3)35)29(4,5)24(30)12-15-31(25,33)7/h22-27,34H,1,9-19H2,2-8H3/t22-,23+,24-,25+,26?,27+,30-,31+,32-,33-/m0/s1

InChIKey

XQEGNJRCYISSOX-DBWROOMJSA-N

Purity

>98%

Appearance

Cryst.

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