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5beta-Cholest-25-ene-3alpha,7alpha,12alpha,23-tetrol

PropertiesImage
MNX_IDMNXM28417 Image of MNXM28417
referencechebi:187502
formulaC27H46O4
global charge0
mol weight434.661
InChIKeyBOFQEAOKHODQKR-UVBCEDGCSA-N
InChIInChI=1S/C27H46O4/c1-15(2)10-19(29)11-16(3)20-6-7-21-25-22(14-24(31)27(20,21)5)26(4)9-8-18(28)12-17(26)13-23(25)30/h16-25,28-31H,1,6-14H2,2-5H3/t16-,17+,18-,19?,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
SMILESC=C(C)CC(O)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MNX internals
InChI (mnx)InChI=1/C27H46O4/c1-15(2)10-19(29)11-16(3)20-6-7-21-25-22(14-24(31)27(20,21)5)26(4)9-8-18(28)12-17(26)13-23(25)30/h16-25,28-31H,1,6-14H2,2-5H3/t16-,17+,18-,19?,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1 Image of MNXM28417
SMILES (mnx)[CH2:1]=[C:15]([CH3:2])[CH2:10][CH:19]([CH2:11][C@@H:16]([CH3:3])[C@H:20]1[CH2:6][CH2:7][C@H:21]2[C@H:25]3[C@H:22]([CH2:14][C@H:24]([OH:31])[C@:27]12[CH3:5])[C@@:26]1([CH3:4])[CH2:9][CH2:8][C@@H:18]([OH:28])[CH2:12][C@H:17]1[CH2:13][C@H:23]3[OH:30])[OH:29]
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:187502
chebi:187502
BOFQEAOKHODQKR-UVBCEDGCSA-N 		5beta-Cholest-25-ene-3alpha,7alpha,12alpha,23-tetrol
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-4-hydroxy-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol

lipidmaps:LMST04030095
lipidmapsM:LMST04030095
BOFQEAOKHODQKR-UVBCEDGCSA-N 		5beta-Cholest-25-ene-3alpha,7alpha,12alpha,23-tetrol
O4
ST 27:1