3-Formylrifamycin

CAS Registry Number®

13292-22-3
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CAS Name

3-Formylrifamycin

Molecular Formula

C38H47NO13

Molecular Mass

725.78

Cite this Page

3-Formylrifamycin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=13292-22-3 (retrieved 2024-04-29) (CAS RN: 13292-22-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    180-185 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10-,14-13+,17-12+/t16-,18+,19+,20+,24-,29-,30+,34+,38-/m0/s1

InChIKey

InChIKey=BBNQHOMJRFAQBN-PBRBEJEZSA-N

SMILES

O=C1C=2C=3C4=C(O)C(=C(C=O)C3O)NC(=O)/C(/C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)\C=C\O[C@@]1(C)OC2C(C)=C4O

Canonical SMILES

O=CC=1C(O)=C2C3=C(O)C1NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(=O)C)C(C)C(OC)C=COC4(OC(=C2C4=O)C(=C3O)C)C)C

Other Names for this Substance

  • Rifamycin, 3-formyl-
  • 2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-8-carboxaldehyde, 1,2-dihydro-5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-, 21-acetate
  • 2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan, rifamycin deriv.
  • 3-Formylrifamycin
  • 3-Formylrifamycin SV

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Deleted or Replaced CAS Registry Numbers

30627-90-8, 71795-12-5, 1195640-82-4

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