(Q105000933)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

labdanes

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mass

406.271924316 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₈O₅

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canonical SMILES

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

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isomeric SMILES

CC(C)C(=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/C24H38O5/c1-16(2)20(27)28-15-17-8-9-18-21(3,4)10-7-11-23(18,6)24(17)13-12-22(5,29-24)14-19(25)26/h8,16,18H,7,9-15H2,1-6H3,(H,25,26)/t18-,22-,23-,24+/m0/s1

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InChIKey

FSZPCPVUWXSHEO-ZQAWKMMESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FSZPCPVUWXSHEO-ZQAWKMMESA-N

(Q105000933)

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

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Identifiers

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