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ent-cassa-12,15-dien-2beta-ol

PropertiesImage
MNX_IDMNXM147757 Image of MNXM147757
referencechebi:138967
formulaC20H32O
global charge0
mol weight288.475
InChIKeyXABYPRBWQNEUHH-IIPJSQIGSA-N
InChIInChI=1S/C20H32O/c1-6-14-7-9-17-16(13(14)2)8-10-18-19(3,4)11-15(21)12-20(17,18)5/h6-7,13,15-18,21H,1,8-12H2,2-5H3/t13-,15+,16-,17-,18-,20+/m1/s1
SMILESC=CC1=CC[C@@H]2[C@H](CC[C@@H]3C(C)(C)C[C@H](O)C[C@@]23C)[C@@H]1C
MNX internals
InChI (mnx)InChI=1/C20H32O/c1-6-14-7-9-17-16(13(14)2)8-10-18-19(3,4)11-15(21)12-20(17,18)5/h6-7,13,15-18,21H,1,8-12H2,2-5H3/t13-,15+,16-,17-,18-,20+/m1/s1 Image of MNXM147757
SMILES (mnx)[CH2:1]=[CH:6][C:14]1=[CH:7][CH2:9][C@@H:17]2[C@H:16]([CH2:8][CH2:10][C@@H:18]3[C:19]([CH3:3])([CH3:4])[CH2:11][C@H:15]([OH:21])[CH2:12][C@@:20]23[CH3:5])[C@@H:13]1[CH3:2]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)12
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:138967
chebi:138967
XABYPRBWQNEUHH-IIPJSQIGSA-N 		ent-cassa-12,15-dien-2beta-ol
(2alpha,5beta,8alpha,9beta,10alpha,14beta)-13-ethenyl-14-methylpodocarp-12-en-2-ol
2alpha-hydroxy-ent-cassadiene

kegg.compound:C21827
keggC:C21827
XABYPRBWQNEUHH-IIPJSQIGSA-N 		ent-Cassa-12,15-dien-2beta-ol

seed.compound:cpd32623
seedM:cpd32623
XABYPRBWQNEUHH-IIPJSQIGSA-N 		ent-cassa-12,15-dien-2beta-ol

metacyc.compound:CPD-16719
metacycM:CPD-16719
XABYPRBWQNEUHH-IIPJSQIGSA-N 		ent-cassa-12,15-dien-2beta-ol
2alpha-hydroxy-ent-cassadiene

keggC:M_C21827
seedM:M_cpd32623 		secondary/obsolete/fantasy identifier