Venturicidin A

CAS Registry Number®

33538-71-5

CAS Name

Venturicidin A

Molecular Formula

C41H67NO11

Molecular Mass

749.97

Cite this Page

Venturicidin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=33538-71-5 (retrieved 2024-11-22) (CAS RN: 33538-71-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    140-142 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C41H67NO11/c1-10-32(43)29(8)36(45)26(5)20-28(7)38-27(6)19-23(2)15-16-31(50-35-21-33(51-40(42)47)37(46)30(9)49-35)14-12-11-13-24(3)39-25(4)17-18-41(48,53-39)22-34(44)52-38/h13,15-17,23,26-31,33,35-39,45-46,48H,10-12,14,18-22H2,1-9H3,(H2,42,47)/b16-15+,24-13+/t23-,26+,27+,28+,29+,30+,31+,33+,35-,36-,37+,38-,39+,41+/m0/s1

InChIKey

InChIKey=HHQKNFDAEDTRJK-LIOWZGMGSA-N

SMILES

CC=1[C@@]\2(O[C@@](O)(CC(=O)O[C@]([C@@H](C[C@H]([C@@H]([C@@H](C(CC)=O)C)O)C)C)([C@H](C)C[C@@H](C)\C=C\[C@H](O[C@H]3C[C@@H](OC(N)=O)[C@H](O)[C@@H](C)O3)CCC/C=C2\C)[H])CC1)[H]

Canonical SMILES

O=C(OC1CC(OC2C=CC(C)CC(C)C(OC(=O)CC3(O)OC(C(=CCCC2)C)C(=CC3)C)C(C)CC(C)C(O)C(C(=O)CC)C)OC(C)C1O)N

Other Names for this Substance

  • 4,21-Dioxabicyclo[15.3.1]heneicosa-9,15,18-trien-3-one, 11-[[3-O-(aminocarbonyl)-2,6-dideoxy-β-D-arabino-hexopyranosyl]oxy]-1-hydroxy-5-[(1R,3R,4S,5S)-4-hydroxy-1,3,5-trimethyl-6-oxooctyl]-6,8,16,18-tetramethyl-, (1R,5S,6R,8R,9E,11R,15E,17R)-
  • Venturicidin A
  • Venturicidin B, 3′-carbamate
  • (1R,5S,6R,8R,9E,11R,15E,17R)-11-[[3-O-(Aminocarbonyl)-2,6-dideoxy-β-D-arabino-hexopyranosyl]oxy]-1-hydroxy-5-[(1R,3R,4S,5S)-4-hydroxy-1,3,5-trimethyl-6-oxooctyl]-6,8,16,18-tetramethyl-4,21-dioxabicyclo[15.3.1]heneicosa-9,15,18-trien-3-one
  • Aabomycin A1

Deleted or Replaced CAS Registry Numbers

11076-79-2, 39405-78-2

CAS INSIGHTSTM
Hourglass and a clock