(Q104909189)

English

(1R,3R,4S,4aR,8R,8aR)-4-[2-(furan-3-yl)ethyl]-1,4-dihydroxy-8-(hydroxymethyl)-3,4a,8-trimethyl-1,3,5,6,7,8a-hexahydronaphthalen-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

4-[2-(Furan-3-yl)ethyl]-1,4-dihydroxy-8-(hydroxymethyl)-3,4a,8-trimethyl-1,3,5,6,7,8a-hexahydronaphthalen-2-one

1 reference

based on heuristic

inferred from SMILES

mass

350.20932406 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,3S,4R,4aS,8R,8aS)-4-[2-(furan-3-yl)ethyl]-1,4-dihydroxy-8-(hydroxymethyl)-3,4a,8-trimethyl-1,3,5,6,7,8a-hexahydronaphthalen-2-one

1 reference

1 reference

C₂₀H₃₀O₅

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canonical SMILES

O=C1C(O)C2C(C)(CO)CCCC2(C)C(O)(CCC3=COC=C3)C1C

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isomeric SMILES

C[C@H]1C(=O)[C@H](O)[C@@H]2[C@](C)(CO)CCC[C@@]2(C)[C@]1(O)CCc1ccoc1

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found in taxon

Leonurus persicus

1 reference

stated in

Further Labdane Diterpenoids Isolated fromLeonuruspersicus1

Identifiers

InChI

InChI=1S/C20H30O5/c1-13-15(22)16(23)17-18(2,12-21)7-4-8-19(17,3)20(13,24)9-5-14-6-10-25-11-14/h6,10-11,13,16-17,21,23-24H,4-5,7-9,12H2,1-3H3/t13-,16-,17+,18-,19+,20-/m0/s1

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InChIKey

ACMWVFQSRHHUMC-DWAYXNRCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ACMWVFQSRHHUMC-DWAYXNRCSA-N

(Q104909189)

(1R,3R,4S,4aR,8R,8aR)-4-[2-(furan-3-yl)ethyl]-1,4-dihydroxy-8-(hydroxymethyl)-3,4a,8-trimethyl-1,3,5,6,7,8a-hexahydronaphthalen-2-one

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Identifiers

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