(Q105309171)

English

(1R,4R,5R,8S,9R,10R,12R)-9-[2-(furan-3-yl)ethyl]-5,9-dihydroxy-4,8,10-trimethyl-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

0 references

mass

348.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₅

0 references

canonical SMILES

O=C1OC2CC(C)C(O)(CCC3=COC=C3)C4(C)CCC(O)C1(C)C24

0 references

isomeric SMILES

C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)[C@H](O)CC[C@@](C)([C@@H]23)[C@@]1(O)CCc1ccoc1

0 references

found in taxon

Marrubium thessalum

2 references

stated in

Labdane diterpenes from Marrubium thessalum

stated in

Labdane diterpenes from Marrubium thessalum

Identifiers

InChI

InChI=1S/C20H28O5/c1-12-10-14-16-18(2,7-5-15(21)19(16,3)17(22)25-14)20(12,23)8-4-13-6-9-24-11-13/h6,9,11-12,14-16,21,23H,4-5,7-8,10H2,1-3H3/t12-,14-,15-,16-,18+,19+,20-/m1/s1

0 references

InChIKey

WNMUVXMXMDRHHN-KNOFJZCVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WNMUVXMXMDRHHN-KNOFJZCVSA-N

(Q105309171)

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

Statements

Identifiers

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