Debromoaplysiatoxin

CAS Registry Number®

52423-28-6
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CAS Name

Debromoaplysiatoxin

Molecular Formula

C32H48O10

Molecular Mass

592.72

Cite this Page

Debromoaplysiatoxin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=52423-28-6 (retrieved 2024-05-03) (CAS RN: 52423-28-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H48O10/c1-18(11-12-24(38-7)22-9-8-10-23(34)13-22)29-20(3)26-16-32(41-29)30(5,6)15-19(2)31(37,42-32)17-28(36)39-25(21(4)33)14-27(35)40-26/h8-10,13,18-21,24-26,29,33-34,37H,11-12,14-17H2,1-7H3/t18-,19+,20-,21+,24-,25+,26-,29+,31-,32-/m0/s1

InChIKey

InChIKey=REAZZDPREXHWNV-HJUJCDCNSA-N

SMILES

CC1(C)[C@@]23O[C@](O)([C@H](C)C1)CC(=O)O[C@@]([C@@H](C)O)(CC(=O)O[C@@](C2)([C@H](C)[C@@]([C@H](CC[C@H](OC)C4=CC(O)=CC=C4)C)(O3)[H])[H])[H]

Canonical SMILES

O=C1OC2CC3(OC(C(C)CCC(OC)C=4C=CC=C(O)C4)C2C)OC(O)(CC(=O)OC(C1)C(O)C)C(C)CC3(C)C

Other Names for this Substance

  • 2,6,10,17-Tetraoxatricyclo[11.3.1.11,5]octadecane-7,11-dione, 13-hydroxy-9-[(1R)-1-hydroxyethyl]-3-[(1S,4S)-4-(5-hydroxyphenyl)-4-methoxy-1-methylbutyl]-4,14,16,16-tetramethyl-, (1S,3R,4S,5S,9R,13S,14R)-
  • Aplysiatoxin, 17-debromo-
  • 2,6,10,17-Tetraoxatricyclo[11.3.1.11,5]octadecane, aplysiatoxin deriv.
  • (1S,3R,4S,5S,9R,13S,14R)-13-Hydroxy-9-[(1R)-1-hydroxyethyl]-3-[(1S,4S)-4-(5-hydroxyphenyl)-4-methoxy-1-methylbutyl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadecane-7,11-dione
  • Debromoaplysiatoxin

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