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variecolin

PropertiesImage
MNX_IDMNXM113838 Image of MNXM113838
referencechebi:66349
formulaC25H36O2
global charge0
mol weight368.561
InChIKeyXAYQASOMEVLRKN-NOJNFTMQSA-N
InChIInChI=1S/C25H36O2/c1-15(2)18-8-9-24(4)10-11-25(5)13-19-16(3)12-21(27)22(19)17(14-26)6-7-20(25)23(18)24/h6,14,16,18-20,22-23H,1,7-13H2,2-5H3/b17-6-/t16-,18+,19-,20-,22-,23-,24-,25+/m0/s1
SMILESC=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@H]4[C@@H](C)CC(=O)[C@H]4/C(C=O)=C\C[C@H]3[C@H]12
MNX internals
InChI (mnx)InChI=1/C25H36O2/c1-15(2)18-8-9-24(4)10-11-25(5)13-19-16(3)12-21(27)22(19)17(14-26)6-7-20(25)23(18)24/h6,14,16,18-20,22-23H,1,7-13H2,2-5H3/b17-6-/t16-,18+,19-,20-,22-,23-,24-,25+/m0/s1 Image of MNXM113838
SMILES (mnx)[CH2:1]=[C:15]([CH3:2])[C@H:18]1[CH2:8][CH2:9][C@@:24]2([CH3:4])[CH2:10][CH2:11][C@:25]3([CH3:5])[CH2:13][C@H:19]4[C@@H:16]([CH3:3])[CH2:12][C:21](=[O:27])[C@H:22]4/[C:17]([CH:14]=[O:26])=[CH:6]\[CH2:7][C@H:20]3[C@H:23]12
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:66349
chebi:66349
XAYQASOMEVLRKN-NOJNFTMQSA-N 		variecolin
(-)-variecolin
(2aS,5S,5aS,5bS,7E,8aR,11S,11aS,12aR)-2a,11,12a-trimethyl-9-oxo-5-(prop-1-en-2-yl)-1,2,2a,3,4,5,5a,5b,6,8a,9,10,11,11a,12,12a-hexadecahydrocyclopenta[4,5]cycloocta[1,2-e]indene-8-carbaldehyde