(Q104991908)

English

2-[(2'S,4R,4aS,8R,8aS)-2',4,7,8a-tetramethyl-4-[[(2S)-2-methylbutanoyl]oxymethyl]spiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid

chemical compound

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instance of

type of chemical entity

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subclass of

labdanes

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mass

420.28757438 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₀O₅

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canonical SMILES

O=C(O)CC1(OC2(C(=CCC3C(C)(COC(=O)C(C)CC)CCCC32C)C)CC1)C

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isomeric SMILES

CC[C@H](C)C(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C(C)[C@]21CC[C@@](C)(CC(=O)O)O1

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1 reference

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Identifiers

InChI

InChI=1S/C25H40O5/c1-7-17(2)21(28)29-16-22(4)11-8-12-24(6)19(22)10-9-18(3)25(24)14-13-23(5,30-25)15-20(26)27/h9,17,19H,7-8,10-16H2,1-6H3,(H,26,27)/t17-,19-,22-,23-,24-,25+/m0/s1

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InChIKey

DZNUEDKLEOFKGM-YWXVMKGQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DZNUEDKLEOFKGM-YWXVMKGQSA-N

(Q104991908)

2-[(2'S,4R,4aS,8R,8aS)-2',4,7,8a-tetramethyl-4-[[(2S)-2-methylbutanoyl]oxymethyl]spiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid

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