(Q104992466)

English

(1R,4S,8S,9R,10S,12R)-9-hydroxy-4,8,10-trimethyl-9-[2-(5-oxo-2H-furan-4-yl)ethyl]-2-oxatricyclo[6.3.1.04,12]dodecan-3-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

labdanes

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mass

348.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₅

0 references

canonical SMILES

O=C1OCC=C1CCC2(O)C(C)CC3OC(=O)C4(C)CCCC2(C)C34

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isomeric SMILES

C[C@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]1(O)CCC1=CCOC1=O

0 references

found in taxon

Marrubium velutinum

1 reference

stated in

Labdane diterpenes from Marrubium velutinum and Marrubium cylleneum

Identifiers

InChI

InChI=1S/C20H28O5/c1-12-11-14-15-18(2,17(22)25-14)7-4-8-19(15,3)20(12,23)9-5-13-6-10-24-16(13)21/h6,12,14-15,23H,4-5,7-11H2,1-3H3/t12-,14+,15-,18-,19-,20+/m0/s1

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InChIKey

FAVVSWILBWUORT-HPCGQBGXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FAVVSWILBWUORT-HPCGQBGXSA-N

(Q104992466)

(1R,4S,8S,9R,10S,12R)-9-hydroxy-4,8,10-trimethyl-9-[2-(5-oxo-2H-furan-4-yl)ethyl]-2-oxatricyclo[6.3.1.04,12]dodecan-3-one

Statements

Identifiers

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