(Q105283385)

English

[(3aS,4S,5R,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-4-[(Z)-2-methylbut-2-enoyl]oxy-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-5-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6-hydroxy-5a,9-dimethyl-4-(2-methylbut-2-enoyloxy)-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-5-yl] 2,3-dimethyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

460.209717984 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₂O₈

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canonical SMILES

O=C(OC1C(OC(=O)C2(OC2C)C)C3(C)C(O)CC=C(C)C3C4OC(=O)C(=C)C14)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@]1(C)O[C@@H]1C)[C@]1(C)[C@@H]2C(C)=CC[C@H]1O

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found in taxon

Calostephane divaricata

1 reference

stated in

Five eudesmanolides from Calostephane divaricata

Identifiers

InChI

InChI=1S/C25H32O8/c1-8-11(2)21(27)31-19-16-13(4)22(28)30-18(16)17-12(3)9-10-15(26)24(17,6)20(19)32-23(29)25(7)14(5)33-25/h8-9,14-20,26H,4,10H2,1-3,5-7H3/b11-8-/t14-,15-,16+,17-,18-,19+,20+,24+,25-/m1/s1

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InChIKey

VBOVOGXZEUFLNR-HZQPAGJTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VBOVOGXZEUFLNR-HZQPAGJTSA-N

(Q105283385)

[(3aS,4S,5R,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-4-[(Z)-2-methylbut-2-enoyl]oxy-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-5-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate

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