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14alpha-methyl-poriferast-9(11)-en-3beta-ol

PropertiesImage
MNX_IDMNXM25106 Image of MNXM25106
referencechebi:173021
formulaC30H52O
global charge0
mol weight428.745
InChIKeyNPGVSXYVQBUVAB-UHHQNMPMSA-N
InChIInChI=1S/C30H52O/c1-8-22(20(2)3)10-9-21(4)25-14-17-30(7)27-12-11-23-19-24(31)13-16-28(23,5)26(27)15-18-29(25,30)6/h15,20-25,27,31H,8-14,16-19H2,1-7H3/t21-,22+,23+,24+,25-,27-,28+,29-,30+/m1/s1
SMILESCC[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C
MNX internals
InChI (mnx)InChI=1/C30H52O/c1-8-22(20(2)3)10-9-21(4)25-14-17-30(7)27-12-11-23-19-24(31)13-16-28(23,5)26(27)15-18-29(25,30)6/h15,20-25,27,31H,8-14,16-19H2,1-7H3/t21-,22+,23+,24+,25-,27-,28+,29-,30+/m1/s1 Image of MNXM25106
SMILES (mnx)[CH3:1][CH2:8][C@@H:22]([CH2:10][CH2:9][C@@H:21]([CH3:4])[C@H:25]1[CH2:14][CH2:17][C@@:30]2([CH3:7])[C@@H:27]3[CH2:12][CH2:11][C@H:23]4[CH2:19][C@@H:24]([OH:31])[CH2:13][CH2:16][C@:28]4([CH3:5])[C:26]3=[CH:15][CH2:18][C@:29]12[CH3:6])[CH:20]([CH3:2])[CH3:3]
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:173021
chebi:173021
NPGVSXYVQBUVAB-UHHQNMPMSA-N 		14alpha-methyl-poriferast-9(11)-en-3beta-ol
(3S,5S,8S,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13,14-trimethyl-1,2,3,4,5,6,7,8,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
hmdb:HMDB0302584
NPGVSXYVQBUVAB-AIFFMEJNSA-N 		(24R)-14alpha-Methyl-24-ethyl-5alpha-cholest-9(11)-en-3beta-ol
(24R)-14a-Methyl-24-ethyl-5a-cholest-9(11)-en-3b-ol
(24R)-14alpha-methyl-24-ethyl-5alpha-cholest-9(11)-en-3beta-ol
(2S,5S,7S,11S,15R)-14-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-2,11,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(17)-en-5-ol

lipidmaps:LMST01040139
lipidmapsM:LMST01040139
NPGVSXYVQBUVAB-UHHQNMPMSA-N 		14alpha-methyl-poriferast-9(11)-en-3beta-ol
O
ST 30:1