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caesalpinin C

PropertiesImage
MNX_IDMNXM103383 Image of MNXM103383
referencechebi:65539
formulaC24H32O6
global charge0
mol weight416.514
InChIKeyMYVHVFGKOZGBLW-RAMHWAOYSA-N
InChIInChI=1S/C24H32O6/c1-13-16-7-9-24(27)22(4,5)20(29-14(2)25)12-21(30-15(3)26)23(24,6)18(16)11-19-17(13)8-10-28-19/h8,10,16,18,20-21,27H,1,7,9,11-12H2,2-6H3/t16-,18-,20+,21-,23-,24+/m0/s1
SMILESC=C1C2=C(C[C@H]3[C@H]1CC[C@@]1(O)C(C)(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@]31C)OC=C2
MNX internals
InChI (mnx)InChI=1/C24H32O6/c1-13-16-7-9-24(27)22(4,5)20(29-14(2)25)12-21(30-15(3)26)23(24,6)18(16)11-19-17(13)8-10-28-19/h8,10,16,18,20-21,27H,1,7,9,11-12H2,2-6H3/t16-,18-,20+,21-,23-,24+/m0/s1 Image of MNXM103383
SMILES (mnx)[CH2:1]=[C:13]1[C@@H:16]2[CH2:7][CH2:9][C@@:24]3([OH:27])[C:22]([CH3:4])([CH3:5])[C@H:20]([O:29][C:14]([CH3:2])=[O:25])[CH2:12][C@H:21]([O:30][C:15]([CH3:3])=[O:26])[C@:23]3([CH3:6])[C@H:18]2[CH2:11][C:19]2=[C:17]1[CH:8]=[CH:10][O:28]2
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:65539
chebi:65539
MYVHVFGKOZGBLW-RAMHWAOYSA-N
caesalpinin C
(1S,3R,4aR,6aR,11aS,11bS)-4a-hydroxy-4,4,11b-trimethyl-7-methylidene-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-1,3-diyl diacetate