(Q104996620)

English

(3R)-5-[(1S,4aS,7R,8aS)-7-acetyloxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-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-(7-acetyloxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

364.261359632 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₆O₄

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canonical SMILES

O=C(OC1CC(C)(C)C2CCC(=C)C(CCC(C)CC(=O)O)C2(C)C1)C

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isomeric SMILES

C=C1CC[C@H]2C(C)(C)C[C@@H](OC(C)=O)C[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)O

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found in taxon

Oxylobus adscendens

1 reference

stated in

Constituents of the genus Oxylobus

Identifiers

InChI

InChI=1S/C22H36O4/c1-14(11-20(24)25)7-9-18-15(2)8-10-19-21(4,5)12-17(26-16(3)23)13-22(18,19)6/h14,17-19H,2,7-13H2,1,3-6H3,(H,24,25)/t14-,17-,18+,19+,22-/m1/s1

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InChIKey

FKIXQVAQMGXHKZ-FYWNELHYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FKIXQVAQMGXHKZ-FYWNELHYSA-N

(Q104996620)

(3R)-5-[(1S,4aS,7R,8aS)-7-acetyloxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid

Statements

Identifiers

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