(Q105162312)

English

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

[5-hydroxy-5a,9-dimethyl-6-(2-methylbut-2-enoyloxy)-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-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(OC1CC=C(C)C2C3OC(=O)C(=C)C3C(OC(=O)C4(OC4C)C)C(O)C12C)C(=CC)C

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isomeric SMILES

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

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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)30-15-10-9-12(3)17-18-16(13(4)22(28)31-18)19(20(26)24(15,17)6)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

MENGTFWOUGBLCI-WSDYYAPKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MENGTFWOUGBLCI-WSDYYAPKSA-N

(Q105162312)

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

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Identifiers

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