(Q105172606)

English

[(2S,3R,3aR,4S,5R,7aR)-3-acetyl-2-[(Z)-2-methylbut-2-enoyl]oxy-7-methylidene-4-propan-2-yl-1,2,3,3a,4,5,6,7a-octahydroinden-5-yl] (2S,3S)-2,3-dimethyloxirane-2-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[3-Acetyl-2-(2-methylbut-2-enoyloxy)-7-methylidene-4-propan-2-yl-1,2,3,3a,4,5,6,7a-octahydroinden-5-yl] 2,3-dimethyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

432.251188872 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₆O₆

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canonical SMILES

O=C(OC1CC2C(=C)CC(OC(=O)C3(OC3C)C)C(C(C)C)C2C1C(=O)C)C(=CC)C

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isomeric SMILES

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

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found in taxon

Robinsonecio gerberifolius

1 reference

stated in

New oplopane and eremophilane derivatives from Robinsonecio gerberifolius

Identifiers

InChI

InChI=1S/C25H36O6/c1-9-13(4)23(27)29-19-11-17-14(5)10-18(30-24(28)25(8)16(7)31-25)20(12(2)3)22(17)21(19)15(6)26/h9,12,16-22H,5,10-11H2,1-4,6-8H3/b13-9-/t16-,17-,18+,19-,20+,21-,22+,25-/m0/s1

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InChIKey

MUOZMUCRIJJEQD-ZGVHUTQJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MUOZMUCRIJJEQD-ZGVHUTQJSA-N

1 reference

(Q105172606)

[(2S,3R,3aR,4S,5R,7aR)-3-acetyl-2-[(Z)-2-methylbut-2-enoyl]oxy-7-methylidene-4-propan-2-yl-1,2,3,3a,4,5,6,7a-octahydroinden-5-yl] (2S,3S)-2,3-dimethyloxirane-2-carboxylate

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Identifiers

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