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cycloartanol

PropertiesImage
MNX_IDMNXM9915 Image of MNXM9915
referencemetacycM:CPD-4181
formulaC30H52O
global charge0
mol weight428.745
InChIKeyYABASAWVVRQMEU-YBXTVTTCSA-N
InChIInChI=1S/C30H52O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h20-25,31H,8-19H2,1-7H3/t21-,22-,23+,24+,25+,27-,28+,29-,30+/m1/s1
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C30H52O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h20-25,31H,8-19H2,1-7H3/t21-,22-,23+,24+,25+,27-,28+,29-,30+/m1/s1 Image of MNXM9915
SMILES (mnx)[CH3:1][CH:20]([CH3:2])[CH2:9][CH2:8][CH2:10][C@@H:21]([CH3:3])[C@H:22]1[CH2:13][CH2:15][C@@:28]2([CH3:7])[C@@H:24]3[CH2:12][CH2:11][C@H:23]4[C:26]([CH3:4])([CH3:5])[C@@H:25]([OH:31])[CH2:14][CH2:16][C@@:29]45[CH2:19][C@@:30]35[CH2:18][CH2:17][C@:27]12[CH3:6]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-4181
metacycM:CPD-4181
YABASAWVVRQMEU-YBXTVTTCSA-N 		cycloartanol
(3beta,9beta)-9,19-cyclolanost-3-ol
24(25)-dihydrocycloartenol

seed.compound:cpd24472
seedM:cpd24472
YABASAWVVRQMEU-YBXTVTTCSA-N 		24(25)-dihydrocycloartenol
cycloartanol
hmdb:HMDB0035969
YABASAWVVRQMEU-YBXTVTTCSA-N 		Cycloartanol
(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylheptan-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol
9b,19-Cyclolanostan-3b-ol
Cycloartan-3b-ol

lipidmaps:LMST01100002
lipidmapsM:LMST01100002
YABASAWVVRQMEU-YBXTVTTCSA-N 		cycloartanol
9beta,19-cyclo-lanostan-3beta-ol
O
ST 30:1

hmdb:HMDB35969
seedM:M_cpd24472 		secondary/obsolete/fantasy identifier