(Q105378358)

English

2-[(3S,4aS,6aS,7S,10aR,10bS)-3,4a,7,10a-tetramethyl-7-[[(Z)-2-methylbut-2-enoyl]oxymethyl]-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]acetic acid

chemical compound

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instance of

type of chemical entity

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subclass of

2-[3,4a,7,10a-tetramethyl-7-(2-methylbut-2-enoyloxymethyl)-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]acetic acid

1 reference

based on heuristic

inferred from SMILES

mass

420.28757438 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₀O₅

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canonical SMILES

O=C(OCC1(C)CCCC2(C)C3CCC(OC3(C)CCC12)(C)CC(=O)O)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)O[C@](C)(CC(=O)O)CC[C@H]12

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found in taxon

Olearia teretifolia

1 reference

stated in

Clerodane and labdane derivatives from Olearia teretifolia

Identifiers

InChI

InChI=1S/C25H40O5/c1-7-17(2)21(28)29-16-22(3)11-8-12-24(5)18(22)10-14-25(6)19(24)9-13-23(4,30-25)15-20(26)27/h7,18-19H,8-16H2,1-6H3,(H,26,27)/b17-7-/t18-,19+,22-,23+,24-,25+/m1/s1

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InChIKey

ZKBZRVVQDYSKMH-GMANOVGDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZKBZRVVQDYSKMH-GMANOVGDSA-N

(Q105378358)

2-[(3S,4aS,6aS,7S,10aR,10bS)-3,4a,7,10a-tetramethyl-7-[[(Z)-2-methylbut-2-enoyl]oxymethyl]-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]acetic acid

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