Vincaleukoblastine,4'-didehydro-4'-deoxy-6,7-dihydro-
Basic information
- CAS
69432-84-4- Standard SMILES
CCC1=CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)CCCN6CCC43C65)C2)C1- InChIKey
CTPTZGZKYVWFKJ-UHFFFAOYSA-N- Molecular formula
- C46H58N4O8
- Average molar mass
- 795 g/mol
- Monoisotopic mass
- 794.42546482
Names & identifiers
- Preferred name
- Vincaleukoblastine,4'-didehydro-4'-deoxy-6,7-dihydro-
- IUPAC
- methyl 11-acetyloxy-12-ethyl-4-(17-ethyl-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl)-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-triene-10-carboxylate
Names & synonyms
69432-84-4AC1L8NN4Vincaleukoblastine,4'-didehydro-4'-deoxy-6,7-dihydro-DTXSID60330451NSC256953NSC-256953Methyl 4-(acetyloxy)-15-[5-ethyl-9-(methoxycarbonyl)-1,4,7,8,9,10-hexahydro-2H-3,7-methanoazacycloundecino[5,4-b]indol-9-yl]-3-hydroxy-16-methoxy-1-methylaspidospermidine-3-carboxylate
Database identifiers
- CAS
69432-84-4- PubChem CID
- 429541
- DTXSID
DTXSID60330451
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,660
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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