(Q105184043)

English

methyl (1S,4aR,5S,6R,6aS,7S,11aS,11bS)-1,5-diacetyloxy-4a,6-dihydroxy-4,4,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[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 1,5-diacetyloxy-4a,6-dihydroxy-4,4,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-7-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

478.220282668 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1,2,3,4,4a,5,6,6aalpha,7,11,11abeta,11b-Dodecahydro-4abeta,6alpha-dihydroxy-1beta,5beta-diacetoxy-4,4,11balpha-trimethylphenanthro[3,2-b]furan-7alpha-carboxylic acid methyl ester

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₄O₉

0 references

canonical SMILES

O=C(OC1CCC(C)(C)C2(O)C(OC(=O)C)C(O)C3C(C(=O)OC)C=4C=COC4CC3C12C)C

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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)CC[C@H](OC(C)=O)[C@]21C

0 references

found in taxon

Caesalpinia crista

1 reference

stated in

Constituents of Caesalpinia crista from Indonesia

Identifiers

InChI

InChI=1S/C25H34O9/c1-12(26)33-17-7-9-23(3,4)25(30)21(34-13(2)27)20(28)19-15(24(17,25)5)11-16-14(8-10-32-16)18(19)22(29)31-6/h8,10,15,17-21,28,30H,7,9,11H2,1-6H3/t15-,17-,18+,19-,20+,21-,24-,25+/m0/s1

0 references

InChIKey

NQRAYTDNIQRCFX-BYGDPYBESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NQRAYTDNIQRCFX-BYGDPYBESA-N

(Q105184043)

methyl (1S,4aR,5S,6R,6aS,7S,11aS,11bS)-1,5-diacetyloxy-4a,6-dihydroxy-4,4,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-7-carboxylate

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