(Q105350975)

English

(3R)-5-[(1R,4aS,5R,6R,7S,8aS)-5-(acetyloxymethyl)-6,7-dihydroxy-2,5,8a-trimethyl-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-[5-(Acetyloxymethyl)-6,7-dihydroxy-2,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

396.251188872 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₆O₆

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canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Oedera corymbosa

1 reference

stated in

Diterpenes and other constituents fromRelhania species

Relhania corymbosa

1 reference

stated in

Diterpenes and other constituents fromRelhania species

Oedera calycina

1 reference

stated in

Diterpenes and other constituents fromRelhania species

Relhania calycina

1 reference

stated in

Diterpenes and other constituents fromRelhania species

Identifiers

InChI

InChI=1S/C22H36O6/c1-13(10-19(25)26)6-8-16-14(2)7-9-18-21(16,4)11-17(24)20(27)22(18,5)12-28-15(3)23/h7,13,16-18,20,24,27H,6,8-12H2,1-5H3,(H,25,26)/t13-,16-,17+,18+,20+,21+,22+/m1/s1

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InChIKey

YNJSZOPMVFGVDM-NGESLJTNSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105350975)

(3R)-5-[(1R,4aS,5R,6R,7S,8aS)-5-(acetyloxymethyl)-6,7-dihydroxy-2,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoic acid

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Identifiers

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