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Norcaesalpinin B

Properties

Image

Occurences in reactions

MNX_ID

MNXM107305

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₃H₃₀O₇

charge

mass

418.19915

reference

chebi:65543

InChIKey

MPFACQITBMQUJJ-PQIIFOIOSA-N

InChI

InChI=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

SMILES

CC(=O)O[C@H]1C[C@@H](OC(C)=O)C(C)(C)[C@]2(O)CC[C@H]3C(=O)c4ccoc4C[C@@H]3[C@@]12C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:65543 chebi:65543	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