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Norcaesalpinin A

Properties

Image

Occurences in reactions

MNX_ID

MNXM107304

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

formula

C₂₃H₃₀O₇

charge

mass

418.19915

reference

chebi:65542

InChIKey

SOBRISMVUYEESV-XCTTXMKUSA-N

InChI

InChI=1S/C23H30O7/c1-12(24)29-18-11-21(3,4)23(27)8-6-14-16(22(23,5)20(18)30-13(2)25)10-17-15(19(14)26)7-9-28-17/h7,9,14,16,18,20,27H,6,8,10-11H2,1-5H3/t14-,16+,18+,20+,22+,23-/m1/s1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:65542 chebi:65542	Norcaesalpinin A (1R,2S,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-1,2-diyl diacetate [(1R,2S,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-2-yl] acetate