(Q104967469)

English

(3R)-5-[(1S,2R,5R,6S,8aR)-6-hydroxy-5-(hydroxymethyl)-1,2,5-trimethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

5-[6-Hydroxy-5-(hydroxymethyl)-1,2,5-trimethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

338.245709568 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₄O₄

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canonical SMILES

O=C(O)CC(C)CCC1(C)C2C(=CCC1C)C(C)(CO)C(O)CC2

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isomeric SMILES

C[C@H](CC[C@@]1(C)[C@H](C)CC=C2[C@@H]1CC[C@H](O)[C@@]2(C)CO)CC(=O)O

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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/C20H34O4/c1-13(11-18(23)24)9-10-19(3)14(2)5-6-16-15(19)7-8-17(22)20(16,4)12-21/h6,13-15,17,21-22H,5,7-12H2,1-4H3,(H,23,24)/t13-,14-,15+,17+,19+,20+/m1/s1

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InChIKey

CPESDJXXAPDHHT-OIFWOIAISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CPESDJXXAPDHHT-OIFWOIAISA-N

(Q104967469)

(3R)-5-[(1S,2R,5R,6S,8aR)-6-hydroxy-5-(hydroxymethyl)-1,2,5-trimethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoic acid

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Identifiers

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