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(3beta,22E,24R)-3-Hydroxyergosta-5,8,22-trien-7-one

PropertiesImage
MNX_IDMNXM115076 Image of MNXM115076
referencechebi:169529
formulaC28H42O2
global charge0
mol weight410.642
InChIKeyUOHNARRKDSHFLD-BQYQJAHWSA-N
InChIInChI=1S/C28H42O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h7-8,16-19,21-23,29H,9-15H2,1-6H3/b8-7+
SMILESCC(C)C(C)/C=C/C(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)CC1=CC3=O
MNX internals
InChI (mnx)InChI=1/C28H42O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h7-8,16-19,21-23,29H,9-15H2,1-6H3/b8-7+/t18?,19?,21?,22?,23?,27?,28? Image of MNXM115076
SMILES (mnx)[CH3:1][CH:17]([CH3:2])[CH:18]([CH3:3])/[CH:7]=[CH:8]/[CH:19]([CH3:4])[CH:22]1[CH2:9][CH2:10][CH:23]2[C:26]3=[C:24]([CH2:12][CH2:14][C:28]12[CH3:6])[C:27]1([CH3:5])[CH2:13][CH2:11][CH:21]([OH:29])[CH2:15][C:20]1=[CH:16][C:25]3=[O: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:169529
chebi:169529
UOHNARRKDSHFLD-BQYQJAHWSA-N 		(3beta,22E,24R)-3-Hydroxyergosta-5,8,22-trien-7-one
17-[(E)-5,6-dimethylhept-3-en-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
hmdb:HMDB0032106
UOHNARRKDSHFLD-BQYQJAHWSA-N 		(3beta,22E,24R)-3-Hydroxyergosta-5,8,22-trien-7-one
(-)-3beta-Hydroxy-(22E,24R)-ergosta-5,8,22-trien-7-one
(3b,22E,24R)-3-Hydroxyergosta-5,8,22-trien-7-one
(3beta,22E,24R)-3-hydroxyergosta-5,8,22-trien-7-one
14-[(3E)-5,6-dimethylhept-3-en-2-yl]-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(10),7-dien-9-one
3beta-Hydroxy-(22E,24R)-ergosta-5,8,22-trien-7-one

hmdb:HMDB32106 		secondary/obsolete/fantasy identifier