Sculponeatic acid

Inquiry

For Research Use Only.

Category

Terpenes

Cat.No.

NP6755

CAS

1169806-02-3

Product Name

Sculponeatic acid

Structure

Product Details

Description

Sculponeatic acid comes from the herbs of Isodon sculponeata

Synonyms

Sculponeatic acid; 1169806-02-3; (3aS,5aR,5bS,7aR,11S,11aS,13aS,13bS)-11-hydroxy-1-(hydroxymethyl)-3,3,5a,5b,10,10,13b-heptamethyl-4,5,6,7,8,9,11,11a,13,13a-decahydro-3aH-cyclopenta[a]chrysene-7a-carboxylic acid; ZINC96023617; AKOS032961600

IUPAC Name

(3aS,5aR,5bS,7aR,11S,11aS,13aS,13bS)-11-hydroxy-1-(hydroxymethyl)-3,3,5a,5b,10,10,13b-heptamethyl-4,5,6,7,8,9,11,11a,13,13a-decahydro-3aH-cyclopenta[a]chrysene-7a-carboxylic acid

Molecular Weight

470.7

Molecular Formula

C30H46O4

Canonical SMILES

CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(C(=CC5(C)C)CO)C)C)C2C1O)C)C(=O)O)C

InChI

InChI=1S/C30H46O4/c1-25(2)12-14-30(24(33)34)15-13-27(5)19(22(30)23(25)32)8-9-21-28(27,6)11-10-20-26(3,4)16-18(17-31)29(20,21)7/h8,16,20-23,31-32H,9-15,17H2,1-7H3,(H,33,34)/t20-,21-,22+,23-,27+,28+,29-,30-/m0/s1

Purity

> 95%

Appearance

Powder

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