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

PropertiesImage
MNX_IDMNXM117671 Image of MNXM117671
referencechebi:192862
formulaC32H52O3
global charge0
mol weight484.765
InChIKeyMAVZHIDFSWDHNP-UHFFFAOYSA-N
InChIInChI=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
SMILESCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4C(C)(CCC(C)C4(C)O)CCC23C)C1(C)C
MNX internals
InChI (mnx)InChI=1/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/t20?,23?,24?,25?,26?,28?,29?,30?,31?,32? Image of MNXM117671
SMILES (mnx)[CH3:1][CH:20]1[CH2:12][CH2:15][C:28]2([CH3:5])[CH2:18][CH2:19][C:30]3([CH3:7])[C:22](=[CH:10][CH2:11][CH:24]4[C:29]5([CH3:6])[CH2:16][CH2:14][CH:25]([O:35][C:21]([CH3:2])=[O:33])[C:27]([CH3:3])([CH3:4])[CH:23]5[CH2:13][CH2:17][C:31]43[CH3:8])[CH:26]2[C:32]1([CH3:9])[OH:34]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:192862
chebi:192862
MAVZHIDFSWDHNP-UHFFFAOYSA-N 		3beta-Acetoxy-19alpha-hydroxy-12-ursene
(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
hmdb:HMDB0036404
MAVZHIDFSWDHNP-UHFFFAOYSA-N 		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