(Q104987122)

English

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

chemical compound

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type of chemical entity

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subclass of

2-[4-(acetyloxymethyl)-2',4,7,8a-tetramethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid

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based on heuristic

inferred from SMILES

mass

378.240624188 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₄O₅

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canonical SMILES

O=C(OCC1(C)CCCC2(C)C1CC=C(C)C32OC(C)(CC(=O)O)CC3)C

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isomeric SMILES

CC(=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/C22H34O5/c1-15-7-8-17-19(3,14-26-16(2)23)9-6-10-21(17,5)22(15)12-11-20(4,27-22)13-18(24)25/h7,17H,6,8-14H2,1-5H3,(H,24,25)/t17-,19-,20-,21-,22+/m0/s1

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InChIKey

DQSQTZUSTDQHIN-JFZIVLOISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DQSQTZUSTDQHIN-JFZIVLOISA-N

(Q104987122)

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

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