3,25-Methano-1H-4-benzazacyclotricosine-1,5,21,26(4H,10H)-tetrone, 11,12,13,14,15,16,17,18-octahydro-11,13,15,17,22,24-hexahydroxy-6,10,12,14,16,18,20,23-octamethyl-, (6Z,8E,10S,11S,12R,13R,14R,15R,16R,17S,19Z)-

CAS Registry Number®

246255-43-6
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CAS Name

3,25-Methano-1H-4-benzazacyclotricosine-1,5,21,26(4H,10H)-tetrone, 11,12,13,14,15,16,17,18-octahydro-11,13,15,17,22,24-hexahydroxy-6,10,12,14,16,18,20,23-octamethyl-, (6Z,8E,10S,11S,12R,13R,14R,15R,16R,17S,19Z)-

Molecular Formula

C35H45NO10

Molecular Mass

639.73

Cite this Page

3,25-Methano-1H-4-benzazacyclotricosine-1,5,21,26(4H,10H)-tetrone, 11,12,13,14,15,16,17,18-octahydro-11,13,15,17,22,24-hexahydroxy-6,10,12,14,16,18,20,23-octamethyl-, (6Z,8E,10S,11S,12R,13R,14R,15R,16R,17S,19Z)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=246255-43-6 (retrieved 2024-05-18) (CAS RN: 246255-43-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H45NO10/c1-14-10-9-11-15(2)35(46)36-22-13-23(37)24-25(32(43)21(8)33(44)26(24)34(22)45)29(40)17(4)12-16(3)28(39)19(6)31(42)20(7)30(41)18(5)27(14)38/h9-14,16,18-20,27-28,30-31,38-39,41-44H,1-8H3,(H,36,46)/b10-9+,15-11-,17-12+/t14-,16?,18+,19+,20+,27-,28-,30+,31+/m0/s1

InChIKey

InChIKey=VFGOUSMZKMNRLA-IFJTYXBESA-N

SMILES

O=C1C=2C=3C(=O)C(=C1)NC(=O)\C(\C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)C(C)/C=C(\C)/C(=O)C2C(O)=C(C)C3O

Canonical SMILES

O=C1C=C2NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C(C)C(O)C(C)C(O)C(C=C(C(=O)C3=C(O)C(=C(O)C(C2=O)=C13)C)C)C)C

Other Names for this Substance

  • 3,25-Methano-1H-4-benzazacyclotricosine-1,5,21,26(4H,10H)-tetrone, 11,12,13,14,15,16,17,18-octahydro-11,13,15,17,22,24-hexahydroxy-6,10,12,14,16,18,20,23-octamethyl-, (6Z,8E,10S,11S,12R,13R,14R,15R,16R,17S,19Z)-
  • Proansamycin X

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