(Q105152718)

English

(3R)-5-[(1R,2S,3S,4aS,8aR)-3-acetyloxy-6-hydroxy-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

5-[3-(acetyloxy)-6-hydroxy-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

394.235538808 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₄O₆

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canonical SMILES

O=C(OC1CC2(C(=C(O)C(=O)CC2C(C)(CCC(C)CC(=O)O)C1C)C)C)C

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isomeric SMILES

CC(=O)O[C@H]1C[C@]2(C)C(C)=C(O)C(=O)C[C@@H]2[C@@](C)(CC[C@@H](C)CC(=O)O)[C@@H]1C

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found in taxon

Oedera genistifolia

1 reference

stated in

Diterpenes and other constituents fromRelhania species

Identifiers

InChI

InChI=1S/C22H34O6/c1-12(9-19(25)26)7-8-21(5)13(2)17(28-15(4)23)11-22(6)14(3)20(27)16(24)10-18(21)22/h12-13,17-18,27H,7-11H2,1-6H3,(H,25,26)/t12-,13-,17+,18-,21+,22-/m1/s1

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InChIKey

LJQHKOKKBQLTOA-GJJPQWRWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LJQHKOKKBQLTOA-GJJPQWRWSA-N

(Q105152718)

(3R)-5-[(1R,2S,3S,4aS,8aR)-3-acetyloxy-6-hydroxy-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid

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