Anaphalisoleanenoic acid [3.beta.-hydroxylean-12-en-30-oic acid]

SpectraBase Compound ID	474bLCeTOfM
InChI	InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,26+,27-,28-,29+,30+/m0/s1
InChIKey	JZFSMVXQUWRSIW-BTJIZOSBSA-N Google Search
Mol Weight	456.7 g/mol
Molecular Formula	C30H48O3
Exact Mass	456.360345 g/mol

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SpectraBase Spectrum ID	95y87rrcvGm
Name	Anaphalisoleanenoic acid [3.beta.-hydroxylean-12-en-30-oic acid]
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C30H48O3
InChI	InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,26+,27-,28-,29+,30+/m0/s1
InChIKey	JZFSMVXQUWRSIW-BTJIZOSBSA-N
Molecular Weight	456.711 g/mol
SMILES	OC([C@@]1(C[C@]2(C=3[C@]([C@@]4(CC[C@]5(C([C@](CC[C@@]5([C@]4(CC3)[H])C)(O)[H])(C)C)[H])C)(CC[C@]2(CC1)C)C)[H])C)=O
SPLASH	splash10-052b-5590000000-76c06a13dc14943436db
Source of Spectrum	Y1-42-2860-1
Synonyms	(2S,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
Wiley ID	1565328