Vincristine

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Systematic / IUPAC Name: (3aR,3a1R,4R,5S,5aR,10bR)-Methyl 4-acetoxy-3a-ethyl-9-((5S,7S,9S)-5-ethyl-5-hydroxy-9-(methoxycarbonyl)-2,4,5,6,7,8,9,10-octahydro-1H-3,7-methano[1]azacycloundecino[5,4-b]indol-9-yl)-6-formyl-5-hydroxy-8-methoxy-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate

ID: Reference1999

Other Names: (2'β)-22-Oxovincaleukoblastine;
Leurocristine;
Oncovine;
Vincrystine;
Kyocristine ; more

Formula: C46H56N4O10

Class: Therapeutics/Prescription Drugs Natural Products/Medicines Endogenous Metabolites

Spectral Data

Vincristine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 5420
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods ESI; NSI
Analyzers IT; FT
Last Modification 1/12/2017 10:33:38 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1
InChI Key OGWKCGZFUXNPDA-XQKSVPLYSA-N
Canonical SMILES CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O
CAS 57227
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Other Names (2'β)-22-Oxovincaleukoblastine;
Leurocristine;
Oncovine;
Vincrystine;
Kyocristine ;
Lilly 37231 ;
Novopharm ;
NSC 67574 ;
VCR

In Other Databases

ChEBI CHEBI:28445
DrugBank APRD00495
PubChem 5978
ChemSpider 5758
ChEMBL CHEMBL90555
ChemIDPlus 000057227
KEGG C07204; D08679
Wikipedia Vincristine
HMDb HMDB14681