(Q105119026)

English

methyl (4aR,5S,6R,6aR,7S,11aS,11bR)-5-acetyloxy-4a,6-dihydroxy-4,4,11b-trimethyl-1-oxo-2,3,5,6,6a,7,11,11a-octahydronaphtho[2,1-f][1]benzofuran-7-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

Methyl 5-acetyloxy-4a,6-dihydroxy-4,4,11b-trimethyl-1-oxo-2,3,5,6,6a,7,11,11a-octahydronaphtho[2,1-f][1]benzofuran-7-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

434.19406792 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (4aR,5S,6R,6aS,7S,11aS,11bR)-5-acetyloxy-4a,6-dihydroxy-4,4,11b-trimethyl-1-oxo-2,3,5,6,6a,7,11,11a-octahydronaphtho[2,1-f][1]benzofuran-7-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₀O₈

0 references

canonical SMILES

O=C(OC1C(O)C2C(C(=O)OC)C=3C=COC3CC2C4(C(=O)CCC(C)(C)C14O)C)C

0 references

isomeric SMILES

COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@H]1[C@@H](O)[C@H](OC(C)=O)[C@@]1(O)C(C)(C)CCC(=O)[C@]21C

0 references

found in taxon

Guilandina bonduc

2 references

stated in

Bonducellpins A−D, New Cassane Furanoditerpenes ofCaesalpinia bonduc

stated in

Cassane furanoditerpenoids from the seed kernels of Caesalpinia bonduc from Thailand

Caesalpinia crista

1 reference

stated in

Constituents of Caesalpinia crista from Indonesia

Identifiers

InChI

InChI=1S/C23H30O8/c1-11(24)31-19-18(26)17-13(10-14-12(7-9-30-14)16(17)20(27)29-5)22(4)15(25)6-8-21(2,3)23(19,22)28/h7,9,13,16-19,26,28H,6,8,10H2,1-5H3/t13-,16+,17+,18+,19-,22-,23+/m0/s1

0 references

InChIKey

IRQDLEBBCDCFMG-SVBHYKRNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IRQDLEBBCDCFMG-SVBHYKRNSA-N

1 reference

(Q105119026)

methyl (4aR,5S,6R,6aR,7S,11aS,11bR)-5-acetyloxy-4a,6-dihydroxy-4,4,11b-trimethyl-1-oxo-2,3,5,6,6a,7,11,11a-octahydronaphtho[2,1-f][1]benzofuran-7-carboxylate

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