(Q105373121)

English

2-[(2'S,4aS,8S,8aS)-2',4,4,8a-tetramethyl-7-(3-methylbutanoyloxymethyl)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)(C)CCCC32C)COC(=O)CC(C)C)CC1)C

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isomeric SMILES

CC(C)CC(=O)OCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)O)O2

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1 reference

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Identifiers

InChI

InChI=1S/C25H40O5/c1-17(2)14-21(28)29-16-18-8-9-19-22(3,4)10-7-11-24(19,6)25(18)13-12-23(5,30-25)15-20(26)27/h8,17,19H,7,9-16H2,1-6H3,(H,26,27)/t19-,23-,24-,25+/m0/s1

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InChIKey

ZEDXXHHRKVXEAL-YUSVDLJSSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZEDXXHHRKVXEAL-YUSVDLJSSA-N

(Q105373121)

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

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