(Q105314177)

English

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

chemical compound

In more languages

Statements

type of chemical entity

0 references

Methyl 2-(furan-3-yl)-7-hydroxy-6a,10b-dimethyl-4-oxo-2,4a,5,6,10,10a-hexahydro-1H-benzo[f]isochromene-7-carboxylate

1 reference

based on heuristic

inferred from SMILES

374.172938552 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChIKey

methyl (2S,4aS,6aR,7R,10aS,10bS)-2-(furan-3-yl)-7-hydroxy-6a,10b-dimethyl-4-oxo-2,4a,5,6,10,10a-hexahydro-1H-benzo[f]isochromene-7-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₆O₆

0 references

canonical SMILES

O=C1OC(C2=COC=C2)CC3(C)C1CCC4(C)C3CC=CC4(O)C(=O)OC

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isomeric SMILES

COC(=O)[C@@]1(O)C=CC[C@@H]2[C@@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@H]3CC[C@]21C

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Aparisthmium cordatum

2 references

Cordatin, a new diterpene from Aparisthmium cordatum

Evaluation of the gastroprotective activity of cordatin, a diterpene isolated from Aparisthmium cordatum (Euphorbiaceae)

Croton palanostigma

1 reference

Isolation, X-ray crystal structure and theoretical calculations of the new compound 8-Eepicordatin and identification of others terpenes and steroids from the bark and leaves of Croton palanostigma Klotzsch

Identifiers

InChI=1S/C21H26O6/c1-19-11-15(13-7-10-26-12-13)27-17(22)14(19)6-9-20(2)16(19)5-4-8-21(20,24)18(23)25-3/h4,7-8,10,12,14-16,24H,5-6,9,11H2,1-3H3/t14-,15+,16-,19+,20-,21+/m1/s1

0 references

WWNYZTBMVRRLJM-GOLBOHCDSA-N

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CAS Registry Number

1 reference

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C21H26O6/c1-19-11-15(13-7-10-26-12-13)27-17(22)14(19)6-9-20(2)16(19)5-4-8-21(20,24)18(23)25-3/h4,7-8,10,12,14-16,24H,5-6,9,11H2,1-3H3/t14-,15+,16-,19+,20-,21+/m1/s1

UniChem compound ID

1 reference

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