(Q105025298)

English

methyl 2-[(2'S,4aS,6R,8S,8aS)-6-hydroxy-2',4,4,8a-tetramethyl-7-methylidenespiro[1,2,3,4a,5,6-hexahydronaphthalene-8,5'-oxolane]-2'-yl]acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl 2-{3-hydroxy-5,5,5',8a-tetramethyl-2-methylidene-hexahydrospiro[naphthalene-1,2'-oxolan]-5'-yl}acetate

1 reference

based on heuristic

inferred from SMILES

mass

350.245709568 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₄O₄

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canonical SMILES

O=C(OC)CC1(OC2(C(=C)C(O)CC3C(C)(C)CCCC32C)CC1)C

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isomeric SMILES

C=C1[C@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)OC)O2

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Identifiers

InChI

InChI=1S/C21H34O4/c1-14-15(22)12-16-18(2,3)8-7-9-20(16,5)21(14)11-10-19(4,25-21)13-17(23)24-6/h15-16,22H,1,7-13H2,2-6H3/t15-,16+,19+,20+,21-/m1/s1

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InChIKey

HBHMNYYMHINETF-XTRBZBHRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HBHMNYYMHINETF-XTRBZBHRSA-N

1 reference

(Q105025298)

methyl 2-[(2'S,4aS,6R,8S,8aS)-6-hydroxy-2',4,4,8a-tetramethyl-7-methylidenespiro[1,2,3,4a,5,6-hexahydronaphthalene-8,5'-oxolane]-2'-yl]acetate

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