(Q105291475)

English

[(3aS,4S,5S,5aR,6R,9S,9aS,9bR)-6,9-dihydroxy-5a,9-dimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-3-methylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[6,9-Dihydroxy-5a,9-dimethyl-5-(2-methylbut-2-enoyloxy)-3-methylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

462.225368048 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aS,4S,5S,5aR,6R,9S,9aS,9bR)-6,9-dihydroxy-5a,9-dimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-3-methylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

[(3aS,4S,5S,5aR,6R,9S,9aS,9bR)-6,9-dihydroxy-5a,9-dimethyl-5-[(Z)-2-methylbut-2-enoyl]oxy-3-methylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₄O₈

0 references

canonical SMILES

O=C(OC1C(OC(=O)C(=CC)C)C2(C)C(O)CCC(O)(C)C2C3OC(=O)C(=C)C13)C(=CC)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@@H](OC(=O)/C(C)=C/C)[C@]1(C)[C@@H]2[C@@](C)(O)CC[C@H]1O

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found in taxon

Calostephane divaricata

1 reference

stated in

Cis-eudesman-12,6-olides from Calostephane divaricata

Identifiers

InChI

InChI=1S/C25H34O8/c1-8-12(3)21(27)32-18-16-14(5)23(29)31-17(16)19-24(6,30)11-10-15(26)25(19,7)20(18)33-22(28)13(4)9-2/h8-9,15-20,26,30H,5,10-11H2,1-4,6-7H3/b12-8+,13-9+/t15-,16+,17-,18+,19+,20-,24+,25+/m1/s1

0 references

InChIKey

VQSLKXFKTTWCAJ-DXMLICNHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VQSLKXFKTTWCAJ-DXMLICNHSA-N

(Q105291475)

[(3aS,4S,5S,5aR,6R,9S,9aS,9bR)-6,9-dihydroxy-5a,9-dimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-3-methylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] (E)-2-methylbut-2-enoate

Statements

Identifiers

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