InChI=1S/C46H56N4O8/c1-8-28-21-29-24-45(41(52)56-6,37-31(15-19-49(25-28)26-29)30-13-10-11-14-34(30)47-37)33-22-32-35(23-36(33)55-5)48(4)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(58-27(3)51)46(39,54)42(53)57-7/h10-14,16,21-23,29,38-40,47,54H,8-9,15,17-20,24-26H2,1-7H3/t29-,38+,39-,40-,43-,44-,45+,46+/m1/s1

【InChIKey】

InChIKey=FFRFGVHNKJYNOV-DOVUUNBWSA-N

【SMILES】

CCC1=C[C@@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@@](C2)C1)(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC

【MOL File】

3',4'-ANHYDROVINBLAS….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:2

H bond acceptor:12

XLogP3:5.0

Bulk/Fine:FB

3Material Safety Data Sheet(MSDS)

4CML File

3',4'-ANHYDROVINBLASTINE.cml

Quick Release

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38390-45-3 3',4'-ANHYDROVINBLASTINE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】