New Synthetic Drugs Database

(2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(furan-3-yl)-6a,10b- dimethyl-4,10-dioxo-dodecahydro-1H-benzo[f]isochromene-7-carboxylate

Formula:
C23H28O8
Average mass:
432.463623047 Da
Monoisotopic mass:
432.178405762 Da
InChI:
InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
InChI key:
OBSYBRPAKCASQB-AGQYDFLVSA-N
SMILES:
CC(=O)O[C@@H]1C[C@H](C(=O)OC)[C@@]2(C)CC[C@@H]3C(=O)O[C@H](C[C@@]3(C)[C@@H]2C1=O)c1cocc1 |&1:4,6,11,15,19,21,23|

Information

IUPAC name:
(2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(furan-3-yl)-6a,10b- dimethyl-4,10-dioxo-dodecahydro-1H-benzo[f]isochromene-7-carboxylate
Alternative names:
Salvia Divinorum, Salvinorin A

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