Cephalosporin P1

CAS Registry Number®

13258-72-5

CAS Name

Cephalosporin P1

Molecular Formula

C33H50O8

Molecular Mass

574.75

Cite this Page

Cephalosporin P1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13258-72-5 (retrieved 2024-11-22) (CAS RN: 13258-72-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H50O8/c1-17(2)10-9-11-21(30(38)39)26-22-12-13-25-31(6)15-14-23(36)18(3)27(31)28(41-20(5)35)29(37)33(25,8)32(22,7)16-24(26)40-19(4)34/h10,18,22-25,27-29,36-37H,9,11-16H2,1-8H3,(H,38,39)/b26-21-/t18-,22+,23-,24+,25+,27-,28-,29+,31-,32+,33-/m1/s1

InChIKey

InChIKey=YJJWILCYIMMPAS-VALXSNPUSA-N

SMILES

C[C@@]12[C@]3(C)[C@](/C(=C(\CCC=C(C)C)/C(O)=O)/[C@@H](OC(C)=O)C3)(CC[C@]1([C@]4(C)[C@@]([C@@H](OC(C)=O)[C@@H]2O)([C@H](C)[C@H](O)CC4)[H])[H])[H]

Canonical SMILES

O=C(O)C(=C1C(OC(=O)C)CC2(C)C1CCC3C4(C)CCC(O)C(C)C4C(OC(=O)C)C(O)C32C)CCC=C(C)C

Other Names for this Substance

  • 29-Nordammara-17(20),24-dien-21-oic acid, 6,16-bis(acetyloxy)-3,7-dihydroxy-, (3α,4α,6α,7β,8α,9β,13α,14β,16β,17Z)-
  • 29-Nor-8α,9β,13α,14β-dammara-17(20),24-dien-21-oic acid, 3α,6α,7β,16β-tetrahydroxy-, 6,16-diacetate, (Z)-
  • (3α,4α,6α,7β,8α,9β,13α,14β,16β,17Z)-6,16-Bis(acetyloxy)-3,7-dihydroxy-29-nordammara-17(20),24-dien-21-oic acid
  • Cephalosporin P1
  • Acremonic acid

Deleted or Replaced CAS Registry Numbers

1363-43-5, 11012-13-8, 15546-45-9, 24619-97-4, 28393-42-2