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3beta-12,21-Baccharadien-3-ol

Properties

Image

Occurences in reactions

MNX_ID

MNXM117661

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₃₀H₅₀O

charge

mass

426.38617

reference

InChIKey

PLCSXUZKJJNYDO-UHFFFAOYSA-N

InChI

InChI=1S/C30H50O/c1-21(2)10-9-15-27(5)18-19-29(7)22(20-27)11-12-24-28(6)16-14-25(31)26(3,4)23(28)13-17-30(24,29)8/h10-11,23-25,31H,9,12-20H2,1-8H3

SMILES

CC(C)=CCCC1(C)CCC2(C)C(=CCC3C4(C)CCC(O)C(C)(C)C4CCC32C)C1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:175469 chebi:175469	3beta-12,21-Baccharadien-3-ol 1,1,4a,8,10a,10b-hexamethyl-8-(4-methylpent-3-enyl)-3,4,4b,5,7,9,10,11,12,12a-decahydro-2H-chrysen-2-ol
hmdb:HMDB0040777	3beta-12,21-Baccharadien-3-ol 1,1,4a,8,10a,10b-hexamethyl-8-(4-methylpent-3-en-1-yl)-1,2,3,4,4a,4b,5,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol 1,1,4a,8,10a,10b-hexamethyl-8-(4-methylpent-3-en-1-yl)-3,4,4b,5,7,9,10,11,12,12a-decahydro-2H-chrysen-2-ol 3b-12,21-Baccharadien-3-ol 3beta-12,21-baccharadien-3-ol
hmdb:HMDB40777	secondary/obsolete/fantasy identifier