(Q105351591)

English

2-[(2'S,4R,4aR,8R,8aS)-4-formyl-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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instance of

type of chemical entity

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subclass of

labdanes

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mass

334.21440944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₄

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canonical SMILES

O=CC1(C)CCCC2(C)C1CC=C(C)C32OC(C)(CC(=O)O)CC3

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isomeric SMILES

CC1=CC[C@@H]2[C@](C)(CCC[C@@]2(C)C=O)[C@@]12CC[C@@](C)(CC(=O)O)O2

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1 reference

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Identifiers

InChI

InChI=1S/C20H30O4/c1-14-6-7-15-17(2,13-21)8-5-9-19(15,4)20(14)11-10-18(3,24-20)12-16(22)23/h6,13,15H,5,7-12H2,1-4H3,(H,22,23)/t15-,17-,18-,19-,20+/m0/s1

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InChIKey

YOXRMCUWSYVPHU-ONSCTEFMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YOXRMCUWSYVPHU-ONSCTEFMSA-N

(Q105351591)

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

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Identifiers

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