Rifamycin B

CAS Registry Number®

13929-35-6
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CAS Name

Rifamycin B

Molecular Formula

C39H49NO14

Molecular Mass

755.80

Cite this Page

Rifamycin B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=13929-35-6 (retrieved 2024-04-28) (CAS RN: 13929-35-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    170-173 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C39H49NO14/c1-17-11-10-12-18(2)38(49)40-24-15-26(51-16-27(42)43)28-29(34(24)47)33(46)22(6)36-30(28)37(48)39(8,54-36)52-14-13-25(50-9)19(3)35(53-23(7)41)21(5)32(45)20(4)31(17)44/h10-15,17,19-21,25,31-32,35,44-47H,16H2,1-9H3,(H,40,49)(H,42,43)/b11-10-,14-13-,18-12+/t17-,19+,20+,21+,25-,31-,32+,35+,39-/m0/s1

InChIKey

InChIKey=SQTCRTQCPJICLD-WFCYQMJWSA-N

SMILES

O(CC(O)=O)C1=C2C3=C4O[C@@](C)(C3=O)O/C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)\C=C/C=C(\C)/C(=O)NC(C(O)=C2C(O)=C4C)=C1

Canonical SMILES

O=C(O)COC1=CC=2NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(=O)C)C(C)C(OC)C=COC3(OC=4C(C3=O)=C1C(C2O)=C(O)C4C)C)C

Other Names for this Substance

  • Rifamycin, 4-O-(carboxymethyl)-
  • Acetic acid, [(1,2-dihydro-5,6,17,19,21-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-9-yl)oxy]-, 21-acetate
  • Rifomycin B
  • 2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan, rifamycin deriv.
  • 4-O-(Carboxymethyl)rifamycin

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Deleted or Replaced CAS Registry Numbers

11006-52-3, 15718-44-2

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