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uvaol

PropertiesImage
MNX_IDMNXM113817 Image of MNXM113817
referencechebi:67894
formulaC30H50O2
global charge0
mol weight442.728
InChIKeyXUARCIYIVXVTAE-ZAPOICBTSA-N
InChIInChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1
SMILESC[C@H]1[C@H](C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12
MNX internals
InChI (mnx)InChI=1/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1 Image of MNXM113817
SMILES (mnx)[CH3:1][C@@H:19]1[CH2:10][CH2:15][C@:30]2([CH2:18][OH:31])[CH2:17][CH2:16][C@:28]3([CH3:6])[C:21](=[CH:8][CH2:9][C@@H:23]4[C@@:27]5([CH3:5])[CH2:13][CH2:12][C@H:24]([OH:32])[C:26]([CH3:3])([CH3:4])[C@@H:22]5[CH2:11][CH2:14][C@:29]43[CH3:7])[C@@H:25]2[C@H:20]1[CH3:2]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:67894
chebi:67894
XUARCIYIVXVTAE-ZAPOICBTSA-N 		uvaol
(3beta)-Urs-12-ene-3,28-diol
hmdb:HMDB0002391
XUARCIYIVXVTAE-ZAPOICBTSA-N 		Uvaol
(3.beta.)-urs-12-ene-3,28-diol
(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol
(3beta)-Urs-12-ene-3,28-diol
Urs-12-ene-3 beta,28-diol
Urs-12-ene-3,28-diol
Urs-12-ene-3beta,28-diol
uvaol

seed.compound:cpd32668
seedM:cpd32668
XUARCIYIVXVTAE-ZAPOICBTSA-N 		urs-12-ene-3,28-diol
urs-12-ene-3beta,28-diol
uvaol

metacyc.compound:CPD-14494
metacycM:CPD-14494
XUARCIYIVXVTAE-ZAPOICBTSA-N 		uvaol
urs-12-ene-3,28-diol
urs-12-ene-3beta,28-diol

hmdb:HMDB02391
seedM:M_cpd32668 		secondary/obsolete/fantasy identifier