Vincaleukoblastine, 22-oxo-, 6′-oxide

CAS Registry Number®

947527-73-3
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CAS Name

Vincaleukoblastine, 22-oxo-, 6′-oxide

Molecular Formula

C46H56N4O11

Molecular Mass

840.96

Cite this Page

Vincaleukoblastine, 22-oxo-, 6′-oxide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=947527-73-3 (retrieved 2024-05-06) (CAS RN: 947527-73-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C46H56N4O11/c1-7-42(55)22-28-23-45(40(53)59-5,36-30(14-19-50(57,24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)58-4)49(26-51)38-44(31)16-18-48-17-11-15-43(8-2,37(44)48)39(61-27(3)52)46(38,56)41(54)60-6/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-,50-/m0/s1

InChIKey

InChIKey=RMXAXRWGUNEVQR-FFFVJEPASA-N

SMILES

C(C)[C@@]12[C@]3([C@@]4([C@]([C@](C(OC)=O)(O)[C@@H]1OC(C)=O)(N(C=O)C=5C4=CC(=C(OC)C5)[C@]6(C(OC)=O)C7=C(C=8C(N7)=CC=CC8)CCN9(=O)C[C@](C6)(C[C@](CC)(O)C9)[H])[H])CCN3CC=C2)[H]

Canonical SMILES

O=CN1C2=CC(OC)=C(C=C2C34CCN5CC=CC(CC)(C(OC(=O)C)C(O)(C(=O)OC)C13)C54)C6(C(=O)OC)C=7NC=8C=CC=CC8C7CCN9(=O)CC(CC(O)(CC)C9)C6

Other Names for this Substance

  • Vincaleukoblastine, 22-oxo-, 6′-oxide

Deleted or Replaced CAS Registry Numbers

1092368-78-9

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