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(3beta,11alpha,13beta)-3,11,13-Oleananetriol

PropertiesImage
MNX_IDMNXM115064 Image of MNXM115064
referencechebi:168506
formulaC30H52O3
global charge0
mol weight460.743
InChIKeyPVMLWBWORNCCPQ-UHFFFAOYSA-N
InChIInChI=1S/C30H52O3/c1-24(2)13-14-26(5)15-16-29(8)28(7)12-9-20-25(3,4)22(32)10-11-27(20,6)23(28)19(31)17-30(29,33)21(26)18-24/h19-23,31-33H,9-18H2,1-8H3
SMILESCC1(C)CCC2(C)CCC3(C)C4(C)CCC5C(C)(C)C(O)CCC5(C)C4C(O)CC3(O)C2C1
MNX internals
InChI (mnx)InChI=1/C30H52O3/c1-24(2)13-14-26(5)15-16-29(8)28(7)12-9-20-25(3,4)22(32)10-11-27(20,6)23(28)19(31)17-30(29,33)21(26)18-24/h19-23,31-33H,9-18H2,1-8H3/t19?,20?,21?,22?,23?,26?,27?,28?,29?,30? Image of MNXM115064
SMILES (mnx)[CH3:1][C:24]1([CH3:2])[CH2:13][CH2:14][C:26]2([CH3:5])[CH2:15][CH2:16][C:29]3([CH3:8])[C:28]4([CH3:7])[CH2:12][CH2:9][CH:20]5[C:25]([CH3:3])([CH3:4])[CH:22]([OH:32])[CH2:10][CH2:11][C:27]5([CH3:6])[CH:23]4[CH:19]([OH:31])[CH2:17][C:30]3([OH:33])[CH:21]2[CH2:18]1
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:168506
chebi:168506
PVMLWBWORNCCPQ-UHFFFAOYSA-N 		(3beta,11alpha,13beta)-3,11,13-Oleananetriol
4,4,6a,6b,8a,11,11,14b-octamethyl-2,3,4a,5,6,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picene-3,6a,14-triol
hmdb:HMDB0034521
PVMLWBWORNCCPQ-UHFFFAOYSA-N 		(3beta,11alpha,13beta)-3,11,13-Oleananetriol
(3b,11a,13b)-3,11,13-Oleananetriol
(3beta,11alpha,13beta)-3,11,13-oleananetriol
4,4,6a,6b,8a,11,11,14b-octamethyl-docosahydropicene-3,12b,14-triol
4,4,6a,6b,8a,11,11,14b-octamethyl-tetradecahydro-1H-picene-3,12b,14-triol

hmdb:HMDB34521 		secondary/obsolete/fantasy identifier