Basic information
- CAS
61091-56-3- Standard SMILES
COc1cc(CC2C(=O)OCC2Cc2ccc3c(c2)OCO3)cc(OC)c1OC- InChIKey
GMLDZDDTZKXJLU-UHFFFAOYSA-N- Molecular formula
- C22H24O7
- Average molar mass
- 400.4 g/mol
- Monoisotopic mass
- 400.1522031
Overview
2(3H)-Furanone, 4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-((3,4,5-trimethoxyphenyl)methyl)- has been reported in Hernandia guianensis, Piper cubeba, and Hernandia ovigera with data available.
Names & identifiers
- Preferred name
- 2-(3,4,5-Trimethoxybenzyl)-3-(3,4-methylenedioxybenzyl) butyrolactone
- IUPAC
- 4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
- English name
- Podorhizon, (+)-deoxy
- Molecular formula
- C22H24O7
- Molecular weight
- 400.42
Names & synonyms
61091-56-32(3H)-Furanone, 4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-((3,4,5-trimethoxyphenyl)methyl)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one2-(3,4,5-Trimethoxybenzyl)-3-(3,4-methylenedioxybenzyl) butyrolactone4-(1,3-benzodioxol-5-ylmethyl)-3-((3,4,5-trimethoxyphenyl)methyl)oxolan-2-oneRefChem:84143(+)-Deoxypodorhizon(.+-.)-DeoxypodorhizonSCHEMBL7435808PODORHIZON, (+)-DEOXYDTXSID60976590(3R)-3|A-(3,4,5-Trimethoxybenzyl)-4|A-(1,3-benzodioxole-5-ylmethyl)tetrahydrofuran-2-one
Show more names
4-(benzo[d][1,3]dioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one2(3H)-Furanone, 4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-[(3,4,5-trimethoxyphenyl)methyl]-, (3S,4S)-
PODORHIZON, (+/-)-DEOXYNSC332046NSC332047NSC408993NSC 408993NSC-332046NSC-332047NSC-408993
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 541
Physicochemical properties
- Boiling point
- 564.851 · 564.851±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.267 · 1.267±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers1 total
南京伶亚生物医药科技有限公司18068075658 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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