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5alpha, 6alpha;8alpha, 9alpha-diepoxy-(22E, 24R)-ergost-22-ene-3beta, 7alpha-diol

PropertiesImage
MNX_IDMNXM118095 Image of MNXM118095
referencechebi:215168
formulaC28H44O4
global charge0
mol weight444.656
InChIKeyKAQBBVJKPGNKRN-LKAVKBBMSA-N
InChIInChI=1S/C28H44O4/c1-16(2)17(3)7-8-18(4)20-9-10-21-24(20,5)13-14-27-25(6)12-11-19(29)15-26(25)23(31-26)22(30)28(21,27)32-27/h7-8,16-23,29-30H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,21+,22+,23-,24+,25-,26-,27-,28+/m0/s1
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@]13O[C@@]21[C@H](O)[C@@H]1O[C@@]12C[C@@H](O)CC[C@]32C
MNX internals
InChI (mnx)InChI=1/C28H44O4/c1-16(2)17(3)7-8-18(4)20-9-10-21-24(20,5)13-14-27-25(6)12-11-19(29)15-26(25)23(31-26)22(30)28(21,27)32-27/h7-8,16-23,29-30H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,21+,22+,23-,24+,25-,26-,27-,28+/m0/s1 Image of MNXM118095
SMILES (mnx)[CH3:1][CH:16]([CH3:2])[C@@H:17]([CH3:3])/[CH:7]=[CH:8]/[C@@H:18]([CH3:4])[C@H:20]1[CH2:9][CH2:10][C@@H:21]2[C@:24]1([CH3:5])[CH2:13][CH2:14][C@:27]13[C@@:25]4([CH3:6])[CH2:12][CH2:11][C@H:19]([OH:29])[CH2:15][C@:26]45[C@H:23]([C@@H:22]([OH:30])[C@:28]21[O:32]3)[O:31]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

CHEBI:215168
chebi:215168
KAQBBVJKPGNKRN-LKAVKBBMSA-N 		5alpha, 6alpha;8alpha, 9alpha-diepoxy-(22E, 24R)-ergost-22-ene-3beta, 7alpha-diol
(1S,2S,5S,7R,9S,10R,11R,12R,15R,16R)-15-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8,19-dioxahexacyclo[9.7.1.01,11.02,7.07,9.012,16]nonadecane-5,10-diol
hmdb:HMDB0033647
KAQBBVJKPGNKRN-BQYQJAHWSA-N 		5,6:8,9-Diepoxyergost-22-ene-3,7beta-diol
15-[(3E)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8,19-dioxahexacyclo[9.7.1.0¹,¹¹.0²,⁷.0⁷,⁹.0¹²,¹⁶]nonadecane-5,10-diol
5,6:8,9-Diepoxy-24-methylcholest-22-ene-3,7-diol
5,6:8,9-Diepoxyergost-22-ene-3,7-diol
5,6:8,9-Diepoxyergost-22-ene-3,7b-diol

hmdb:HMDB33647 		secondary/obsolete/fantasy identifier