(Q105343258)

English

2-[(2'S,4R,4aS,8R,8aS)-2',4,7,8a-tetramethyl-4-(2-methylpropanoyloxymethyl)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

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

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isomeric SMILES

CC1=CC[C@@H]2[C@](C)(CCC[C@@]2(C)COC(=O)C(C)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)28-15-21(4)10-7-11-23(6)18(21)9-8-17(3)24(23)13-12-22(5,29-24)14-19(25)26/h8,16,18H,7,9-15H2,1-6H3,(H,25,26)/t18-,21-,22-,23-,24+/m0/s1

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InChIKey

XVYMYRQFBYKPIH-KGZUAYNTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XVYMYRQFBYKPIH-KGZUAYNTSA-N

(Q105343258)

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

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