(Q105281766)

English

2-[(2'S,4R,4aS,8R,8aS)-4-(acetyloxymethyl)-2',4,7,8a-tetramethyl-5-oxospiro[1,2,3,4a-tetrahydronaphthalene-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

392.219888744 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₂O₆

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canonical SMILES

O=C(OCC1(C)CCCC2(C)C1C(=O)C=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]1C(=O)C=C(C)[C@]21CC[C@@](C)(CC(=O)O)O1

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1 reference

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Identifiers

InChI

InChI=1S/C22H32O6/c1-14-11-16(24)18-19(3,13-27-15(2)23)7-6-8-21(18,5)22(14)10-9-20(4,28-22)12-17(25)26/h11,18H,6-10,12-13H2,1-5H3,(H,25,26)/t18-,19-,20-,21-,22+/m0/s1

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InChIKey

UYOVOOPXFQQWGM-KNOXWWKRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UYOVOOPXFQQWGM-KNOXWWKRSA-N

(Q105281766)

2-[(2'S,4R,4aS,8R,8aS)-4-(acetyloxymethyl)-2',4,7,8a-tetramethyl-5-oxospiro[1,2,3,4a-tetrahydronaphthalene-8,5'-oxolane]-2'-yl]acetic acid

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