vinblastine
Chemical Formula:
C46H60N4O9
Molecular Weight:
813.001 Daltons
Monoisotopic Mass:
812.4360295457001 Daltons
SMILES:
CCC7(O)(CC6(CC(C(=O)OC)(C5(=CC4(C13(CC[N+]2([CH]1C(CC)(C=CC2)C(OC(=O)C)C(C(OC)=O)(O)[CH]3N(C)C=4C=C(OC)5)))))C8(=C(CC[N+](C6)C7)C9(C(N8)=CC=CC=9))))
InChI:
1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/p+2/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1
InChIKey:
Synonyms
- vincaleukoblastine
Databases
MetaCyc:
CPD-7858
PubChem (CID):
129320449
ChEBI:
27375
HMDB:
HMDB14710
KEGG:
C07201
Seed:
cpd04440
MetaNetX:
MNXM5987