Rokitamycin

CAS Registry Number®

74014-51-0
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CAS Name

Rokitamycin

Molecular Formula

C42H69NO15

Molecular Mass

827.99

Cite this Page

Rokitamycin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=74014-51-0 (retrieved 2024-04-20) (CAS RN: 74014-51-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    116 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C42H69NO15/c1-11-16-32(48)55-40-27(6)53-34(23-42(40,7)58-31(47)12-2)56-37-26(5)54-41(36(50)35(37)43(8)9)57-38-28(19-20-44)21-24(3)29(45)18-15-13-14-17-25(4)52-33(49)22-30(46)39(38)51-10/h13-15,18,20,24-30,34-41,45-46,50H,11-12,16-17,19,21-23H2,1-10H3/b14-13+,18-15+/t24-,25-,26-,27+,28+,29+,30-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1

InChIKey

InChIKey=VYWWNRMSAPEJLS-MDWYKHENSA-N

SMILES

O([C@H]1[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](O)[C@@H]1OC)[C@H]2[C@H](O)[C@@H](N(C)C)[C@H](O[C@H]3C[C@](OC(CC)=O)(C)[C@@H](OC(CCC)=O)[C@H](C)O3)[C@@H](C)O2

Canonical SMILES

O=CCC1CC(C)C(O)C=CC=CCC(OC(=O)CC(O)C(OC)C1OC2OC(C)C(OC3OC(C)C(OC(=O)CCC)C(OC(=O)CC)(C)C3)C(N(C)C)C2O)C

Other Names for this Substance

  • Leucomycin V, 4B-butanoate 3B-propanoate
  • Oxacyclohexadecane, leucomycin V deriv.
  • 3′′-Propionylleucomycin A5
  • TMS 19Q
  • Ricamycin

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