(Q105142647)

English

methyl (2S,4aR,6aR,10R,10aR,10bR)-10-acetyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4,9-dioxo-2,4a,5,6,10,10a-hexahydro-1H-benzo[f]isochromene-7-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl 10-acetyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4,9-dioxo-2,4a,5,6,10,10a-hexahydro-1H-benzo[f]isochromene-7-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

430.162767792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₆O₈

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canonical SMILES

O=C(OC)C1=CC(=O)C(OC(=O)C)C2C1(C)CCC3C(=O)OC(C4=COC=C4)CC32C

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isomeric SMILES

COC(=O)C1=CC(=O)[C@H](OC(C)=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C

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found in taxon

Salvia divinorum

1 reference

stated in

New neoclerodane diterpenoids isolated from the leaves of Salvia divinorum and their binding affinities for human kappa opioid receptors

Identifiers

InChI

InChI=1S/C23H26O8/c1-12(24)30-18-16(25)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(18)22/h6,8-9,11,14,17-19H,5,7,10H2,1-4H3/t14-,17-,18-,19-,22-,23-/m0/s1

0 references

InChIKey

KLIYEWBCXJFOSK-MRIWXPTHSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

KLIYEWBCXJFOSK-MRIWXPTHSA-N

1 reference

(Q105142647)

methyl (2S,4aR,6aR,10R,10aR,10bR)-10-acetyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4,9-dioxo-2,4a,5,6,10,10a-hexahydro-1H-benzo[f]isochromene-7-carboxylate

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Identifiers

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