(Q105204917)

English

1-[(1R,8aS)-7,8,8a-trihydroxy-2-methyl-6-propan-2-yl-1H-naphthalen-1-yl]-4-hydroxy-4-methylpentan-3-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

348.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1-[(1R,8aR)-7,8,8a-trihydroxy-2-methyl-6-propan-2-yl-1H-naphthalen-1-yl]-4-hydroxy-4-methylpentan-3-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₅

0 references

canonical SMILES

O=C(CCC1C(=CC=C2C=C(C(O)=C(O)C21O)C(C)C)C)C(O)(C)C

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isomeric SMILES

CC1=CC=C2C=C(C(C)C)C(O)=C(O)[C@]2(O)[C@@H]1CCC(=O)C(C)(C)O

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found in taxon

Salvia eriophora

1 reference

stated in

Cardioactive diterpenes from the roots of Salvia eriophora.

Salvia limbata

1 reference

stated in

Rearranged abietane diterpenes from Salvia limbata

Identifiers

InChI

InChI=1S/C20H28O5/c1-11(2)14-10-13-7-6-12(3)15(8-9-16(21)19(4,5)24)20(13,25)18(23)17(14)22/h6-7,10-11,15,22-25H,8-9H2,1-5H3/t15-,20-/m1/s1

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InChIKey

PAXBRBHXWXXRQV-FOIQADDNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PAXBRBHXWXXRQV-FOIQADDNSA-N

(Q105204917)

1-[(1R,8aS)-7,8,8a-trihydroxy-2-methyl-6-propan-2-yl-1H-naphthalen-1-yl]-4-hydroxy-4-methylpentan-3-one

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