Molecule record

(1S,6R,13S)-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one

C₂₃H₂₂O₆

394.42 g/mol

Loading structure

Molecular properties

Formula: C₂₃H₂₂O₆
Molar mass: 394.42 g·mol⁻¹
Exact mass: 394.1416 Da
: 13
PubChem CID: 6758

Functional groups

Alkane / alkyl carbon

Alkene

Aromatic ring

Ether

Ketone

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

(-)-Rotenone
(-)-cis-Rotenone
83-79-4
Canex
Cube-Pulver
Dactinol
Deril
Derrin

Show all 24 synonyms

Derris
Dri-Kil
Extrax
Liquid Derris
Nicouline
Noxfire
Paraderil
Ronone
Rotefive
Rotefour
Rotenon
Rotessenol
Rotocide
Tubatoxin
Tubotoxin
rotenone

Structure identifiers

Canonical SMILES: C=C(C)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1
Isomeric SMILES: CC(=C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC
InChI: InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1
InChIKey: JUVIOZPCNVVQFO-HBGVWJBISA-N
PubChem CID: 6758

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for (1S,6R,13S)-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (1S,6R,13S)-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

Open source record