(Q105261934)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

(5,6,9-Trihydroxy-5a,9-dimethyl-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

380.183503236 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₇

0 references

canonical SMILES

O=C(OC1C(O)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](O)[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/C20H28O7/c1-6-9(2)17(23)27-14-12-10(3)18(24)26-13(12)15-19(4,25)8-7-11(21)20(15,5)16(14)22/h6,11-16,21-22,25H,3,7-8H2,1-2,4-5H3/b9-6-/t11-,12+,13-,14+,15+,16-,19+,20+/m1/s1

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InChIKey

SVFPCVAHUZWSGH-YFWDXGNQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SVFPCVAHUZWSGH-YFWDXGNQSA-N

(Q105261934)

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

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