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Norcaesalpinin B

PropertiesImage
MNX_IDMNXM107305 Image of MNXM107305
referencechebi:65543
formulaC23H30O7
global charge0
mol weight418.486
InChIKeyMPFACQITBMQUJJ-PQIIFOIOSA-N
InChIInChI=1S/C23H30O7/c1-12(24)29-18-11-19(30-13(2)25)22(5)16-10-17-15(7-9-28-17)20(26)14(16)6-8-23(22,27)21(18,3)4/h7,9,14,16,18-19,27H,6,8,10-11H2,1-5H3/t14-,16+,18-,19+,22+,23-/m1/s1
SMILESCC(=O)O[C@H]1C[C@@H](OC(C)=O)C(C)(C)[C@]2(O)CC[C@H]3C(=O)C4=C(C[C@@H]3[C@@]12C)OC=C4
MNX internals
InChI (mnx)InChI=1/C23H30O7/c1-12(24)29-18-11-19(30-13(2)25)22(5)16-10-17-15(7-9-28-17)20(26)14(16)6-8-23(22,27)21(18,3)4/h7,9,14,16,18-19,27H,6,8,10-11H2,1-5H3/t14-,16+,18-,19+,22+,23-/m1/s1 Image of MNXM107305
SMILES (mnx)[CH3:1][C:12](=[O:24])[O:29][C@@H:18]1[CH2:11][C@H:19]([O:30][C:13]([CH3:2])=[O:25])[C@:22]2([CH3:5])[C@H:16]3[CH2:10][C:17]4=[C:15]([CH:7]=[CH:9][O:28]4)[C:20](=[O:26])[C@@H:14]3[CH2:6][CH2:8][C@@:23]2([OH:27])[C:21]1([CH3:3])[CH3:4]
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:65543
chebi:65543
MPFACQITBMQUJJ-PQIIFOIOSA-N 		Norcaesalpinin B
(1S,3R,4aR,6aR,11aS,11bS)-4a-hydroxy-4,4,11b-trimethyl-7-oxo-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-1,3-diyl diacetate
[(1S,3R,4aR,6aR,11aS,11bS)-1-acetyloxy-4a-hydroxy-4,4,11b-trimethyl-7-oxo-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-3-yl] acetate