(Q105199470)

English

(3R)-5-[(1R,4aR,7S,8aS)-7-[(2S,3S)-2,3-dihydroxy-2-methylbutanoyl]oxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5-{7-[(2,3-dihydroxy-2-methylbutanoyl)oxy]-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl}-3-methylpentanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

438.298139064 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₂O₆

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canonical SMILES

O=C(O)CC(C)CCC1C(=CCC2C(C)(C)CC(OC(=O)C(O)(C)C(O)C)CC12C)C

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isomeric SMILES

CC1=CC[C@@H]2C(C)(C)C[C@H](OC(=O)[C@@](C)(O)[C@H](C)O)C[C@]2(C)[C@@H]1CC[C@@H](C)CC(=O)O

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found in taxon

Brickellia laciniata

1 reference

stated in

Diterpenes from Fleischmannia hymenophylla and Brickellia laciniata

Identifiers

InChI

InChI=1S/C25H42O6/c1-15(12-21(27)28)8-10-19-16(2)9-11-20-23(4,5)13-18(14-24(19,20)6)31-22(29)25(7,30)17(3)26/h9,15,17-20,26,30H,8,10-14H2,1-7H3,(H,27,28)/t15-,17+,18+,19-,20-,24-,25+/m1/s1

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InChIKey

OTBHAYSBMVNSRJ-YNPKEXGXSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105199470)

(3R)-5-[(1R,4aR,7S,8aS)-7-[(2S,3S)-2,3-dihydroxy-2-methylbutanoyl]oxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoic acid

Statements

Identifiers

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