Anemosapogenin

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Catalog Number
ACM85999402
Product Name
Anemosapogenin
Structure
Structure
CAS
85999-40-2
Category
Heterocyclic Organic Compound
Synonyms
Anemosapogenin
IUPAC Name
(1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-hydroxy-8-(hydroxymethyl)-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-carboxylic acid
Molecular Weight
472.71
Molecular Formula
C30H48O4
Canonical SMILES
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)O)C)C(=O)O
InChI
InChI=1S/C30H48O4/c1-18(2)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h19-24,31-32H,1,7-17H2,2-6H3,(H,33,34)/t19-,20+,21+,22+,23-,24+,26-,27-,28+,29+,30-/m0/s1
InChI Key
HXWLKAXCQLXHML-WGOZWDAUSA-N
Appearance
White powder
Exact Mass
472.35500
H-Bond Acceptor
4
H-Bond Donor
3
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