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7beta-hydroxysitosterol

PropertiesImage
MNX_IDMNXM102210 Image of MNXM102210
referencechebi:70531
formulaC29H50O2
global charge0
mol weight430.717
InChIKeySXJVFYZNUGGHRG-PZHNMUJHSA-N
InChIInChI=1S/C29H50O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-27,30-31H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,26+,27+,28+,29-/m1/s1
SMILESCC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MNX internals
InChI (mnx)InChI=1/C29H50O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-27,30-31H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,26+,27+,28+,29-/m1/s1 Image of MNXM102210
SMILES (mnx)[CH3:1][CH2:7][C@H:20]([CH2:9][CH2:8][C@@H:19]([CH3:4])[C@H:23]1[CH2:10][CH2:11][C@H:24]2[C@H:27]3[C@H:25]([CH2:13][CH2:15][C@:29]12[CH3:6])[C@@:28]1([CH3:5])[CH2:14][CH2:12][C@H:22]([OH:30])[CH2:16][C:21]1=[CH:17][C@@H:26]3[OH:31])[CH:18]([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:70531
chebi:70531
SXJVFYZNUGGHRG-PZHNMUJHSA-N
7beta-hydroxysitosterol
Stigmast-5-ene-3,7-diol, (3beta,7beta)-