Tetrocarcin A

CAS Registry Number®

73666-84-9
No image available.

CAS Name

Tetrocarcin A

Molecular Formula

C67H96N2O24

Molecular Mass

1313.48

Cite this Page

Tetrocarcin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=73666-84-9 (retrieved 2024-08-28) (CAS RN: 73666-84-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C67H96N2O24/c1-30-14-18-47(88-54-28-65(11,69(79)80)60(38(9)86-54)68-64(78)81-13)31(2)23-43-45(73)24-40(29-70)27-67(43)62(76)55(63(77)93-67)61(75)66(12)42(30)16-15-41-56(66)32(3)22-33(4)57(41)92-53-26-49(59(37(8)85-53)87-39(10)71)90-50-21-19-48(35(6)83-50)89-52-25-46(74)58(36(7)84-52)91-51-20-17-44(72)34(5)82-51/h14-16,23-24,29,32-38,41-54,56-60,72-74,76H,17-22,25-28H2,1-13H3,(H,68,78)/b30-14+,31-23+/t32-,33-,34-,35-,36-,37-,38+,41-,42-,43+,44+,45-,46+,47-,48+,49+,50-,51-,52-,53-,54-,56+,57-,58-,59-,60-,65-,66+,67-/m0/s1

InChIKey

InChIKey=WMZWPJLTTUCZTC-TZZDMNFISA-N

SMILES

OC=1[C@@]23[C@@]([C@@H](O)C=C(C=O)C2)(/C=C(\C)/[C@@H](O[C@H]4C[C@@](N(=O)=O)(C)[C@@H](NC(OC)=O)[C@@H](C)O4)C/C=C(\C)/[C@]5([C@@](C)(C(=O)C1C(=O)O3)[C@]6([C@@]([C@@H](O[C@H]7C[C@@H](O[C@@H]8O[C@@H](C)[C@H](O[C@H]9C[C@@H](O)[C@@H](O[C@@H]%10O[C@@H](C)[C@H](O)CC%10)[C@H](C)O9)CC8)[C@@H](OC(C)=O)[C@H](C)O7)[C@@H](C)C[C@@H]6C)(C=C5)[H])[H])[H])[H]

Canonical SMILES

O=CC1=CC(O)C2C=C(C)C(OC3OC(C)C(NC(=O)OC)C(N(=O)=O)(C)C3)CC=C(C)C4C=CC5C(OC6OC(C)C(OC(=O)C)C(OC7OC(C)C(OC8OC(C)C(OC9OC(C)C(O)CC9)C(O)C8)CC7)C6)C(C)CC(C)C5C4(C(=O)C=%10C(=O)OC2(C%10O)C1)C

Other Names for this Substance

  • 18H-16a,19-Metheno-16aH-benzo[b]naphth[2,1-j]oxacyclotetradecin-15-carboxaldehyde, 1,2,3,4,4a,6a,9,10,12a,13,16,20,20a,20b-tetradecahydro-13,21-dihydroxy-1,3,7,11,20a-pentamethyl-18,20-dioxo-10-[[2,3,4,6-tetradeoxy-4-[(methoxycarbonyl)amino]-3-C-methyl-3-nitro-β-D-xylo-hexopyranosyl]oxy]-4-[(O-2,3,6-trideoxy-α-L-erythro-hexopyranosyl-(1→4)-O-2,6-dideoxy-α-L-ribo-hexopyranosyl-(1→4)-O-2,3,6-trideoxy-α-L-erythro-hexopyranosyl-(1→3)-4-O-acetyl-2,6-dideoxy-α-L-ribo-hexopyranosyl)oxy]-, (1S,3S,4S,4aS,6aS,7E,10S,11E,12aR,13S,16aS,20aS,20bR)-
  • Tetrocarcin A
  • (1S,3S,4S,4aS,6aS,7E,10S,11E,12aR,13S,16aS,20aS,20bR)-1,2,3,4,4a,6a,9,10,12a,13,16,20,20a,20b-Tetradecahydro-13,21-dihydroxy-1,3,7,11,20a-pentamethyl-18,20-dioxo-10-[[2,3,4,6-tetradeoxy-4-[(methoxycarbonyl)amino]-3-C-methyl-3-nitro-β-D-xylo-hexopyranosyl]oxy]-4-[(O-2,3,6-trideoxy-α-L-erythro-hexopyranosyl-(1→4)-O-2,6-dideoxy-α-L-ribo-hexopyranosyl-(1→4)-O-2,3,6-trideoxy-α-L-erythro-hexopyranosyl-(1→3)-4-O-acetyl-2,6-dideoxy-α-L-ribo-hexopyranosyl)oxy]-18H-16a,19-metheno-16aH-benzo[b]naphth[2,1-j]oxacyclotetradecin-15-carboxaldehyde
  • Antlermicin A
  • Antibiotic DC 11

Deleted or Replaced CAS Registry Numbers

73361-36-1, 83461-82-9