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(+)-20-Taraxasten-3beta-ol

PropertiesImage
MNX_IDMNXM30051 Image of MNXM30051
referencelipidmapsM:LMPR0106180002
formulaC30H50O
global charge0
mol weight426.729
InChIKeyNGFFRJBGMSPDMS-UJVMZRTBSA-N
InChIInChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h11,20-25,31H,9-10,12-18H2,1-8H3/t20-,21-,22?,23?,24+,25-,27-,28+,29-,30-/m1/s1
SMILESCC1=CC[C@]2(C)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)[C@H]2[C@@H]1C
MNX internals
InChI (mnx)InChI=1/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h11,20-25,31H,9-10,12-18H2,1-8H3/t20-,21-,22?,23?,24+,25-,27-,28+,29-,30-/m1/s1 Image of MNXM30051
SMILES (mnx)[CH3:1][C:19]1=[CH:11][CH2:14][C@:27]2([CH3:5])[CH2:17][CH2:18][C@:29]3([CH3:7])[C@H:21]([CH2:9][CH2:10][CH:23]4[C@@:28]5([CH3:6])[CH2:15][CH2:13][C@H:24]([OH:31])[C:26]([CH3:3])([CH3:4])[CH:22]5[CH2:12][CH2:16][C@:30]43[CH3:8])[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)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

lipidmaps:LMPR0106180002
lipidmapsM:LMPR0106180002
NGFFRJBGMSPDMS-UJVMZRTBSA-N 		(+)-20-Taraxasten-3beta-ol

metacyc.compound:CPD-6950
metacycM:CPD-6950
NGFFRJBGMSPDMS-VPUBHQHASA-N 		Psi-taraxasterol
hmdb:HMDB0035809
NGFFRJBGMSPDMS-UHFFFAOYSA-N 		gamma-Taraxasterol
(3beta,18alpha,19alpha)-Urs-20-en-3-ol
4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,12,12a,12b,13,14,14a,14b-icosahydropicen-3-ol
4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,12,12a,12b,13,14,14a-tetradecahydro-1H-picen-3-ol
Calendol
Heterolupeol
Lupane
Pseudotaraxasterol
Psi-taroxosterol
Y-taraxasterol
g-Taraxasterol
gamma-taraxasterol

CHEBI:175454
chebi:175454
NGFFRJBGMSPDMS-UHFFFAOYSA-N 		gamma-Taraxasterol
4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-ol
hmdb:HMDB0302321
NGFFRJBGMSPDMS-VPUBHQHASA-N 		psi-Taraxasterol
(3S,6aR,6bR,8aS,12S,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,12,12a,12b,13,14,14a,14b-icosahydropicen-3-ol
(3S,6aR,6bR,8aS,12S,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,12,12a,12b,13,14,14a-tetradecahydro-1H-picen-3-ol

seed.compound:cpd24665
seedM:cpd24665
NGFFRJBGMSPDMS-VPUBHQHASA-N 		psi-taraxasterol

hmdb:HMDB35809
seedM:M_cpd24665 		secondary/obsolete/fantasy identifier