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3beta-Acetoxy-19alpha-hydroxy-12-ursene

Properties

Image

Occurences in reactions

MNX_ID

MNXM117671

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

formula

C₃₂H₅₂O₃

charge

mass

484.39165

reference

hmdb:HMDB0036404

InChIKey

MAVZHIDFSWDHNP-UHFFFAOYSA-N

InChI

InChI=1S/C32H52O3/c1-20-12-15-28(5)18-19-30(7)22(26(28)32(20,9)34)10-11-24-29(6)16-14-25(35-21(2)33)27(3,4)23(29)13-17-31(24,30)8/h10,20,23-26,34H,11-19H2,1-9H3

SMILES

CC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4C(C)(CCC(C)C4(C)O)CCC23C)C1(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0036404	3beta-Acetoxy-19alpha-hydroxy-12-ursene 12-Hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl acetic acid 12-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl acetate 12-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicen-3-yl acetate 3b-Acetoxy-19a-hydroxy-12-ursene 3beta-acetoxy-19alpha-hydroxy-12-ursene
hmdb:HMDB36404	secondary/obsolete/fantasy identifier