Account Dehydromonocrotaline
- Catalog No. :
- ACBOZZ614
- CAS No. :
- 23291-96-5
- Molecular Formula :
- C16H21NO6
- Molecular Weight :
- 323.35
IUPAC Name:(3R,4R,5R,13aR)-4,5-dihydroxy-3,4,5-trimethyl-4,5,8,12,13,13a-hexahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione
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Product Information
| Product Name | Dehydromonocrotaline |
|---|---|
| IUPAC Name | (3R,4R,5R,13aR)-4,5-dihydroxy-3,4,5-trimethyl-4,5,8,12,13,13a-hexahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione |
| Molecular Formula | C16H21NO6 |
| Molecular Weight | 323.35 |
| SMILES | O=C(O[C@]1([H])CCN2C1=C(CO3)C=C2)[C@H](C)[C@@](C)(O)[C@@](C)(O)C3=O |
| InChI Key | ZONSVLURFASOJK-LLAGZRPASA-N |
| Synonym | (13R,14R)-3,8-Didehydro-14,19-dihydro-12,13-dihydroxy-20-norcrotalanan-11,15-dione;20-Norcrotalanan-11,15-dione, 3,8-didehydro-14,19-dihydro-12,13-dihydroxy-, (13-alpha,14-alpha)-;2H-(,6)Dioxacyclounlecino(2,3,4-gh)pyrrolizine-2,6(3H)-dione, 4,5,8,12,13,13A-hexahydro-4,5-dihydroxy-3,4,5-trimethyl-, (3R-(3R*,4R*,5R*,13ar*))-;2H-(,6)Dioxacyclounlecino(2,3,4-gh)pyrrolizine-2,6(3H)-dione, 4,5,8,12,13,13A-hexahydro-4,5-dihydroxy-3,4,5-trimethyl-, (3R,4R,5R,13ar)-;Monocrotaline pyrrole metabolite;Monocrotaline, 3,8-didehydro-;2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione, 4,5,8,12,13,13a-hexahydro-4,5-dihydroxy-3,4,5-trimethyl-, (3R,4R,5R,13aR)- |
| CAS No. | 23291-96-5 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Synthetic Route by SureRoute
2. ACBOZZ614 Molecular Building Block Synthetic Route
1-Ethoxy-7-(ethoxymethyl)-2,3-dihydro-1H-pyrrolizine
(R)-4-Ethyl-4-hydroxy-1,4,7,8-tetrahydro-3H,10H-spiro[pyrano[3,4-f]indolizine-6,2'-[1,3]dioxolane]-3,10-dione
4-Ethyl-4-hydroxy-1,4,7,8-tetrahydro-3H,10H-spiro[pyrano[3,4-f]indolizine-6,2'-[1,3]dioxolane]-3,10-dione