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(3beta,5alpha,6beta,7alpha,22E,24R)-Ergosta-8,22-diene-3,5,6,7-tetrol

PropertiesImage
MNX_IDMNXM115111 Image of MNXM115111
referencechebi:173213
formulaC28H46O4
global charge0
mol weight446.672
InChIKeyJYZONTNDJOOGSM-BQYQJAHWSA-N
InChIInChI=1S/C28H46O4/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27,32)25(31)24(23)30/h7-8,16-21,24-25,29-32H,9-15H2,1-6H3/b8-7+
SMILESCC(C)C(C)/C=C/C(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)CC1(O)C(O)C3O
MNX internals
InChI (mnx)InChI=1/C28H46O4/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27,32)25(31)24(23)30/h7-8,16-21,24-25,29-32H,9-15H2,1-6H3/b8-7+/t17?,18?,19?,20?,21?,24?,25?,26?,27?,28? Image of MNXM115111
SMILES (mnx)[CH3:1][CH:16]([CH3:2])[CH:17]([CH3:3])/[CH:7]=[CH:8]/[CH:18]([CH3:4])[CH:20]1[CH2:9][CH2:10][CH:21]2[C:23]3=[C:22]([CH2:12][CH2:13][C:26]12[CH3:5])[C:27]1([CH3:6])[CH2:14][CH2:11][CH:19]([OH:29])[CH2:15][C:28]1([OH:32])[CH:25]([OH:31])[CH:24]3[OH:30]
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:173213
chebi:173213
JYZONTNDJOOGSM-BQYQJAHWSA-N 		(3beta,5alpha,6beta,7alpha,22E,24R)-Ergosta-8,22-diene-3,5,6,7-tetrol
17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5,6,7-tetrol
hmdb:HMDB0032107
JYZONTNDJOOGSM-BQYQJAHWSA-N 		(3beta,5alpha,6beta,7alpha,22E,24R)-Ergosta-8,22-diene-3,5,6,7-tetrol
(3b,5a,6b,7a,22E,24R)-Ergosta-8,22-diene-3,5,6,7-tetrol
(3beta,5alpha,6beta,7alpha,22E,24R)-ergosta-8,22-diene-3,5,6,7-tetrol
14-[(3E)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-ene-5,7,8,9-tetrol

hmdb:HMDB32107 		secondary/obsolete/fantasy identifier