3beta-hydroxyergosta-8,24(28)-dien-7-one

Properties Image MNX_ID MNXM101915 reference chebi:70334 formula C28H44O2 global charge 0 mol weight 412.658 InChIKey XNNFSCUGVQFHNA-KLARHEOWSA-N InChI InChI=1S/C28H44O2/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/h17,19-23,29H,3,7-16H2,1-2,4-6H3/t19-,20-,21+,22-,23+,27+,28-/m1/s1 SMILES C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3=O)C(C)C MNX internals InChI (mnx) InChI=1/C28H44O2/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/h17,19-23,29H,3,7-16H2,1-2,4-6H3/t19-,20-,21+,22-,23+,27+,28-/m1/s1 SMILES (mnx) [CH3:1][CH:17]([CH3:2])[C:18](=[CH2:3])[CH2:7][CH2:8][C@@H:19]([CH3:4])[C@H:22]1[CH2:9][CH2:10][C@H: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][C@H:21]([OH:29])[CH2:15][C@@H:20]1[CH2:16][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