|
Please
login
to be able to add spectra, identifiers, links and publications.
|
|
|
ChemSpider ID: |
7986840
|
|
Empirical Formula: |
C46H58N4O9
|
|
Molecular Weight: |
810.9741
|
|
Nominal Mass: |
810
Da
|
|
Average Mass: |
810.9741
Da
|
|
Monoisotopic Mass: |
810.420379
Da
|
|
|
|
Systematic Name: |
(2xi,3alpha,4alpha,4'alpha,5beta,19xi)-vincaleukoblastine
|
|
SMILES: |
O=C(OC)[C@]4(c2c(c1ccccc1n2)CCN3C[C@@](O)(CC)CC(C3)C4)c5c(OC)cc6c(c5)[C@@]89C(N6C)[C@@](O)(C(=O)OC)[C@H](OC(=O)C)[C@@]7(/C=C\CN(C78)CC9)CC
Copy
|
|
InChI: |
InChI=1/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/t28?,37?,38?,39-,42-,43-,44-,45+,46+/m1/s1
Copy
|
|
InChIKey: |
JXLYSJRDGCGARV-QUJZHOEZBQ
|
|
Std. InChI: |
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/t28?,37?,38?,39-,42-,43-,44-,45+,46+/m1/s1
Copy
|
|
Std. InChIKey: |
JXLYSJRDGCGARV-QUJZHOEZSA-N
|
|
|