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ent-cassa-12,15-dien-3beta-ol

MNXM819741 is deprecated and replaced by MNXM511766
PropertiesImage
MNX_IDMNXM511766 Image of MNXM511766
referencechebi:72660
formulaC20H32O
global charge0
mol weight288.475
InChIKeyBHRUCLDHUXEJQR-PHVPSJSMSA-N
InChIInChI=1S/C20H32O/c1-6-14-7-9-16-15(13(14)2)8-10-17-19(3,4)18(21)11-12-20(16,17)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@H](O)CC[C@@]23C)[C@@H]1C
MNX internals
InChI (mnx)InChI=1/C20H32O/c1-6-14-7-9-16-15(13(14)2)8-10-17-19(3,4)18(21)11-12-20(16,17)5/h6-7,13,15-18,21H,1,8-12H2,2-5H3/t13-,15-,16-,17-,18-,20+/m1/s1 Image of MNXM511766
SMILES (mnx)[CH2:1]=[CH:6][C:14]1=[CH:7][CH2:9][C@@H:16]2[C@H:15]([CH2:8][CH2:10][C@@H:17]3[C:19]([CH3:3])([CH3:4])[C@H:18]([OH:21])[CH2:11][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)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:72660
chebi:72660
BHRUCLDHUXEJQR-PHVPSJSMSA-N 		ent-cassa-12,15-dien-3beta-ol
(2R,4aS,4bR,8S,8aR,10aS)-1,1,4a,8-tetramethyl-7-vinyl-1,2,3,4,4a,4b,5,8,8a,9,10,10a-dodecahydrophenanthren-2-ol
(2R,4aS,4bR,8S,8aR,10aS)-7-ethenyl-1,1,4a,8-tetramethyl-1,2,3,4,4a,4b,5,8,8a,9,10,10a-dodecahydrophenanthren-2-ol
3alpha-hydroxy-ent-cassa-12,15-diene

sabiork.compound:30801
sabiorkM:30801
BHRUCLDHUXEJQR-PHVPSJSMSA-N 		3alpha-Hydroxy-ent-cassa-12,15-diene
3alpha-Hydroxy-ent-cassadiene
ent-cassa-12,15-dien-3alpha-ol