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Diendiol

PropertiesImage
MNX_IDMNXM1129775 Image of MNXM1129775
referencechebi:177375
formulaC21H30O3
global charge0
mol weight330.468
InChIKeySBMHTRUNPKWTLU-PKJGFKEFSA-N
InChIInChI=1S/C21H30O3/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h8,11,16-19,22,24H,3-7,9-10,12H2,1-2H3/b13-8-/t16-,17-,18-,19+,20-,21+/m0/s1
SMILESC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)/C(=C\CO)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C21H30O3/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h8,11,16-19,22,24H,3-7,9-10,12H2,1-2H3/b13-8-/t16-,17-,18-,19+,20-,21+/m0/s1 Image of MNXM1129775
SMILES (mnx)[CH3:1][C@:20]12[CH2:9][CH2:7][C:15](=[O:23])[CH:11]=[C:14]1[CH2:3][CH2:5][C@H:16]1[C@@H:17]3[CH2:6][CH2:4]/[C:13](=[CH:8]/[CH2:10][OH:22])[C@@:21]3([CH3:2])[CH2:12][C@H:18]([OH:24])[C@@H:19]12
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:177375
chebi:177375
SBMHTRUNPKWTLU-PKJGFKEFSA-N 		Diendiol
(8S,9S,10R,11S,13S,14S,17Z)-11-hydroxy-17-(2-hydroxyethylidene)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one