Sulfuric acid--methyl 15-(5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino(5,4-b)indol-9-yl)-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate (1/1)
Basic information
- CAS
19694-26-9- Standard SMILES
CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@H]3C45CCN4CC=C[C@](CC)([C@H]45)[C@@H](O)[C@]3(O)C(=O)OC)C2)C1.O=S(=O)(O)O- InChIKey
VSMLZADJIZSDKN-MEFFJABKSA-N- Molecular formula
- C44H58N4O12S
- Average molar mass
- 867 g/mol
- Monoisotopic mass
- 866.37719447
Names & identifiers
- Preferred name
- Sulfuric acid--methyl 15-(5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino(5,4-b)indol-9-yl)-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate (1/1)
- IUPAC
- methyl (9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate;sulfuric acid
Names & synonyms
DTXSID50941454Sulfuric acid--methyl 15-(5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino(5,4-b)indol-9-yl)-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate (1/1)Sulfuric acid--methyl 15-[5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indol-9-yl]-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate (1/1)RefChem:1099275DTXCID10136988619694-26-9Desacetyl VLB SulfateDesacetylvincaleukoblastine sulfateVincaleukoblastine, desacetyl-, sulfateSulfuric acid--methyl 15-[(5S,7S,9S)-5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indol-9-yl]-3beta,4beta-dihydroxy-16-methoxy-1-methyl-2beta,5alpha,19alpha-6,7-didehydroaspidospermidine-3alpha-carboxylate (1/1)
Database identifiers
- CAS
19694-26-9
Properties
Computed structural properties
- Topological polar surface area
- 231 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 8
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 1,660
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…