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9-deoxyforskolin

PropertiesImage
MNX_IDMNXM39558 Image of MNXM39558
referencechebi:50296
formulaC22H34O6
global charge0
mol weight394.508
InChIKeySUZLHDUTVMZSEV-WESICCPUSA-N
InChIInChI=1S/C22H34O6/c1-8-20(5)11-13(24)16-21(6)14(25)9-10-19(3,4)17(21)15(26)18(27-12(2)23)22(16,7)28-20/h8,14-18,25-26H,1,9-11H2,2-7H3/t14-,15-,16+,17-,18-,20-,21+,22-/m0/s1
SMILESC=C[C@@]1(C)CC(=O)[C@H]2[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C
MNX internals
InChI (mnx)InChI=1/C22H34O6/c1-8-20(5)11-13(24)16-21(6)14(25)9-10-19(3,4)17(21)15(26)18(27-12(2)23)22(16,7)28-20/h8,14-18,25-26H,1,9-11H2,2-7H3/t14-,15-,16+,17-,18-,20-,21+,22-/m0/s1 Image of MNXM39558
SMILES (mnx)[CH2:1]=[CH:8][C@@:20]1([CH3:5])[CH2:11][C:13](=[O:24])[C@@H:16]2[C@@:21]3([CH3:6])[C@@H:14]([OH:25])[CH2:9][CH2:10][C:19]([CH3:3])([CH3:4])[C@@H:17]3[C@H:15]([OH:26])[C@H:18]([O:27][C:12]([CH3:2])=[O:23])[C@@:22]2([CH3:7])[O:28]1
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:50296
chebi:50296
SUZLHDUTVMZSEV-WESICCPUSA-N
9-deoxyforskolin
(3R,4aR,5S,6S,6aS,10S,10aS,10bS)-3-ethenyl-6,10-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-benzo[f]chromen-5-yl acetate
7beta-acetoxy-8,13-epoxy-1alpha,6beta-dihydroxylabd-14-en-11-one