Egenine
Basic information
- CAS
119736-64-0- Standard SMILES
CN1CCc2cc3c(cc2[C@H]1[C@@H]1O[C@H](O)c2c1ccc1c2OCO1)OCO3- InChIKey
YMHFBUOKLSWOQF-NSHGMRRFSA-N- Molecular formula
- C20H19NO6
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.12123733
Overview
(6R,8S)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydrofuro[3,4-g][1,3]benzodioxol-8-ol has been reported in Corydalis decumbens, Dehaasia incrassata, and Fumaria vaillantii with data available.
Names & identifiers
- Preferred name
- Egenine
- IUPAC
- (6R,8S)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydrofuro[3,4-g][1,3]benzodioxol-8-ol
- English name
- Egenine
- Molecular formula
- C20H19NO6
- Molecular weight
- 369.37
Names & synonyms
DecumbensineEgenine(+)-Egenine6883-44-9(+)-Decumbensine(6R,8S)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,8-dihydro-[1,3]dioxolo[4,5-e]isobenzofuran-8-olFuro(3,4-e)-1,3-benzodioxol-8-ol, 6,8-dihydro-6-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (6R-(6alpha(S*),8alpha))-119736-64-0(6R,8S)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydrofuro[3,4-g][1,3]benzodioxol-8-olorb3237535SCHEMBL12904807DTXSID30923096
Show more names
(6R,8S)-6,8-Dihydro-6-[(5S)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]furo[3,4-e]-1,3-benzodioxol-8-ol(6R)-6,8-Dihydro-6α-[[(5S)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin]-5-yl]furo[3,4-e]-1,3-benzodioxol-8α-olFuro[3,4-e]-1,3-benzodioxol-8-ol, 6,8-dihydro-6-[(5S)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, (6R,8S)-
(6R,8S)-6-[(5S)-6-Methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydro-2H-furo[3,4-e][1,3]benzodioxol-8-ol6-(6-Methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,8-dihydro-2H-furo[3,4-e][1,3]benzodioxol-8-ol
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 577
Physicochemical properties
- Boiling point
- 511.3 · 511.3±50.0 °C(Predicted)
- Density
- 1.478 · 1.478
- form
- White to off-white crystalline solid.
- pka
- 11.87 · 11.87±0.40(Predicted)
- Symbol(GHS)
- 9 · GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300-H400-H310-H330
- Precautionary statements
- 273 · P273-P391-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS09,GHS06
- Hazard statements
- H300-H400-H310-H330
- Precautionary statements
- P273-P391-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501
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Related reactions
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Compound notes
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