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Details

Stereochemistry ABSOLUTE
Molecular Formula C47H56N4O11
Molecular Weight 852.9677
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VINCRISTINE METABOLITE M2

SMILES

[H][C@@]12N3CC[C@@]14C5=CC(=C(OC)C=C5N(C=O)[C@@]4([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC)[C@]6(C[C@@H](CC(=O)CC)CN(CCC7=C6NC8=CC=CC=C78)C(C)=O)C(=O)OC

InChI

InChIKey=UBXMXMGLGVYHMJ-GBZQTZFASA-N
InChI=1S/C47H56N4O11/c1-8-30(55)21-29-24-46(42(56)60-6,38-32(15-19-50(25-29)27(3)53)31-13-10-11-14-35(31)48-38)34-22-33-36(23-37(34)59-5)51(26-52)40-45(33)17-20-49-18-12-16-44(9-2,39(45)49)41(62-28(4)54)47(40,58)43(57)61-7/h10-14,16,22-23,26,29,39-41,48,58H,8-9,15,17-21,24-25H2,1-7H3/t29-,39+,40-,41-,44-,45-,46+,47+/m1/s1

HIDE SMILES / InChI

Molecular Formula C47H56N4O11
Molecular Weight 852.9677
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
DV8H3L9HFQ
Record Status Validated (UNII)
Record Version