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(3beta,5alpha,6beta,9alpha,22E,24R)-5,9-Epidioxyergosta-7,22-diene-3,6-diol

PropertiesImage
MNX_IDMNXM115113 Image of MNXM115113
referencehmdb:HMDB0038977
formulaC28H44O4
global charge0
mol weight444.656
InChIKeyXCRHWCBOUDKLGM-BQYQJAHWSA-N
InChIInChI=1S/C28H44O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28-16-20(29)11-12-26(28,6)27(23,31-32-28)14-13-25(21,22)5/h7-8,15,17-22,24,29-30H,9-14,16H2,1-6H3/b8-7+
SMILESCC(C)C(C)/C=C/C(C)C1CCC2C3=CC(O)C45CC(O)CCC4(C)C3(CCC21C)OO5
MNX internals
InChI (mnx)InChI=1/C28H44O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28-16-20(29)11-12-26(28,6)27(23,31-32-28)14-13-25(21,22)5/h7-8,15,17-22,24,29-30H,9-14,16H2,1-6H3/b8-7+/t18?,19?,20?,21?,22?,24?,25?,26?,27?,28? Image of MNXM115113
SMILES (mnx)[CH3:1][CH:17]([CH3:2])[CH:18]([CH3:3])/[CH:7]=[CH:8]/[CH:19]([CH3:4])[CH:21]1[CH2:9][CH2:10][CH:22]2[C:23]3=[CH:15][CH:24]([OH:30])[C:28]45[CH2:16][CH:20]([OH:29])[CH2:11][CH2:12][C:26]4([CH3:6])[C:27]3([CH2:14][CH2:13][C:25]12[CH3:5])[O:31][O:32]5
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
hmdb:HMDB0038977
XCRHWCBOUDKLGM-BQYQJAHWSA-N 		(3beta,5alpha,6beta,9alpha,22E,24R)-5,9-Epidioxyergosta-7,22-diene-3,6-diol
(-)-5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
(3b,5a,6b,9a,22E,24R)-5,9-Epidioxyergosta-7,22-diene-3,6-diol
(3beta,5alpha,6beta,9alpha,22E,24R)-5,9-epidioxyergosta-7,22-diene-3,6-diol
5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
8-[(3E)-5,6-dimethylhept-3-en-2-yl]-9,13-dimethyl-18,19-dioxapentacyclo[10.5.2.0¹,¹³.0⁴,¹².0⁵,⁹]nonadec-3-ene-2,16-diol

hmdb:HMDB38977 		secondary/obsolete/fantasy identifier