FABACEIN
Molecular Formula:
C34H48O9
InChI: InChI=1/C34H48O9/c1-18(35)42-23-16-31(7)24-12-11-20-21(15-22(37)28(40)30(20,5)6)33(24,9)26(39)17-32(31,8)27(23)34(10,41)25(38)13-14-29(3,4)43-19(2)36/h11,13-14,21-24,27,37,41H,12,15-17H2,1-10H3/b14-13+/t21-,22+,23-,24+,27+,31+,32-,33+,34+/m1/s1
InChIKey: InChIKey=VDSNEQABQQKTRF-ZHECFNFVBF
SMILES: CC(=O)OC1CC2(C3CC=C4C(C3(C(=O)CC2(C1C(C)(C(=O)C=CC(C)(C)OC(=O)C)O)C)C)CC(C(=O)C4(C)C)O)C
Names:
FABACEIN
NSC49452
37710-13-7
[(E,6R)-6-[(2S,8S,9R,10S,13R,14S,16R,17S)-16-acetyloxy-2-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxo-hept-3-en-2-yl] acetate
Registries:
PubChem CID 5356030
PubChem ID 101606
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