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Substance Name: Vinblastinoic acid
RN: 60223-77-0
InChIKey: OOQPJZVJXMBXDG-BWXJFNBNSA-N

Molecular Formula

  • C45-H56-N4-O9

Molecular Weight

  • 796.9564
 
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Names and Synonyms

Name of Substance

  • Vinblastinoic acid

Systematic Name

  • Vincaleukoblastin-23-oic acid

Registry Numbers

CAS Registry Number

  • 60223-77-0

System Generated Number

  • 0060223770

Structure Descriptors

InChI

1S/C45H56N4O9/c1-7-41(54)22-27-23-44(40(53)57-6,35-29(14-18-48(24-27)25-41)28-12-9-10-13-32(28)46-35)31-20-30-33(21-34(31)56-5)47(4)37-43(30)16-19-49-17-11-15-42(8-2,36(43)49)38(58-26(3)50)45(37,55)39(51)52/h9-13,15,20-21,27,36-38,46,54-55H,7-8,14,16-19,22-25H2,1-6H3,(H,51,52)/t27-,36-,37+,38?,41-,42+,43?,44-,45-/m0/s1

InChIKey

OOQPJZVJXMBXDG-BWXJFNBNSA-N

Smiles

C(=O)(OC)[C@@]1(c2c(cc3c([C@@]45[C@@H]([C@@]([C@@H]([C@@]6([C@@H]5[N@@](CC=C6)CC4)CC)O)(C(O)=O)OC(C)=O)N3C)c2)OC)c2[nH]c3c(c2CC[N@@]2C[C@@H](C[C@@](C2)(CC)O)C1)cccc3