Search MNXref
 Feedback

ent-cassa-12,15-diene-2beta,3beta-diol-11-one

PropertiesImage
MNX_IDMNXM116118 Image of MNXM116118
referencemetacycM:CPD-16676
formulaC20H30O3
global charge0
mol weight318.457
InChIKeyZFELGQUOUOELBZ-JNLXGNGJSA-N
InChIInChI=1S/C20H30O3/c1-6-12-9-14(21)17-13(11(12)2)7-8-16-19(3,4)18(23)15(22)10-20(16,17)5/h6,9,11,13,15-18,22-23H,1,7-8,10H2,2-5H3/t11-,13?,15-,16-,17+,18-,20-/m1/s1
SMILESC=CC1=CC(=O)[C@@H]2C(CC[C@@H]3C(C)(C)[C@H](O)[C@H](O)C[C@@]23C)[C@@H]1C
MNX internals
InChI (mnx)InChI=1/C20H30O3/c1-6-12-9-14(21)17-13(11(12)2)7-8-16-19(3,4)18(23)15(22)10-20(16,17)5/h6,9,11,13,15-18,22-23H,1,7-8,10H2,2-5H3/t11-,13?,15-,16-,17+,18-,20-/m1/s1 Image of MNXM116118
SMILES (mnx)[CH2:1]=[CH:6][C:12]1=[CH:9][C:14](=[O:21])[C@@H:17]2[CH:13]([CH2:7][CH2:8][C@@H:16]3[C:19]([CH3:3])([CH3:4])[C@H:18]([OH:23])[C@H:15]([OH:22])[CH2:10][C@:20]32[CH3:5])[C@@H:11]1[CH3:2]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-16676
metacycM:CPD-16676
ZFELGQUOUOELBZ-JNLXGNGJSA-N 		ent-cassa-12,15-diene-2beta,3beta-diol-11-one
(2alpha,3alpha,14alpha)-2,3-dihydroxy-14-methyl-13-vinylpodocarp-12-en-11-one
2,3alpha-diol-11-oxo-ent-cassa-12,15-diene
ent-2beta,3beta-dihydroxy-cassa-12,15-diene-11-one

seed.compound:cpd33450
seedM:cpd33450
ZFELGQUOUOELBZ-JNLXGNGJSA-N 		(2alpha,3alpha,14alpha)-2,3-dihydroxy-14-methyl-13-vinylpodocarp-12-en-11-one
2,3alpha-diol-11-oxo-ent-cassa-12,15-diene
ent-2beta,3beta-dihydroxy-cassa-12,15-diene-11-one
ent-cassa-12,15-diene-2beta,3beta-diol-11-one

seed.compound:cpd28866
seedM:cpd28866 		ent-cassa-12,15-diene-2,3alpha-ol-11-keto
ent-cassadiene-2,3alpha-ol-11-keto

seedM:M_cpd28866
seedM:M_cpd33450 		secondary/obsolete/fantasy identifier