(Q105032299)

English

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

1 reference

332.198759376 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChIKey

1 reference

C₂₀H₂₈O₄

0 references

canonical SMILES

O=C1OC2CC(C)C(O)(CCC3=COC=C3)C4(C)CCCC1(C)C24

0 references

isomeric SMILES

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

0 references

found in taxon

Marrubium vulgare

1 reference

stated in

Marrubiol—A new diterpenoid fromMarrubium vulgare

Identifiers

InChI

InChI=1S/C20H28O4/c1-13-11-15-16-18(2,17(21)24-15)7-4-8-19(16,3)20(13,22)9-5-14-6-10-23-12-14/h6,10,12-13,15-16,22H,4-5,7-9,11H2,1-3H3/t13-,15+,16-,18-,19-,20+/m0/s1

0 references

InChIKey

HQLLRHCTVDVUJB-FVARLDMKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HQLLRHCTVDVUJB-FVARLDMKSA-N

(Q105032299)

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

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Identifiers

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