Brevetoxin B, 43-[[(2R)-2-carboxy-2-[(1-oxotetradecyl)amino]ethyl]sulfinyl]-42-deoxo-41,43-dihydro-43-hydroxy-

CAS Registry Number®

260270-43-7

CAS Name

Brevetoxin B, 43-[[(2R)-2-carboxy-2-[(1-oxotetradecyl)amino]ethyl]sulfinyl]-42-deoxo-41,43-dihydro-43-hydroxy-

Molecular Formula

C67H105NO18S

Molecular Mass

1244.61

Cite this Page

Brevetoxin B, 43-[[(2R)-2-carboxy-2-[(1-oxotetradecyl)amino]ethyl]sulfinyl]-42-deoxo-41,43-dihydro-43-hydroxy-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=260270-43-7 (retrieved 2024-11-14) (CAS RN: 260270-43-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C67H105NO18S/c1-9-10-11-12-13-14-15-16-17-18-19-22-58(71)68-43(62(73)74)38-87(75)37-41(36-69)28-42-29-52(70)67(8)56(76-42)31-48-49(83-67)30-47-44(77-48)21-20-24-63(4)57(80-47)35-66(7)55(84-63)33-54-64(5,86-66)25-23-45-60(82-54)39(2)26-46-51(78-45)34-65(6)53(79-46)32-50-61(85-65)40(3)27-59(72)81-50/h20-21,27,39,41-57,60-61,69-70H,9-19,22-26,28-38H2,1-8H3,(H,68,71)(H,73,74)/t39-,41?,42-,43+,44-,45+,46+,47+,48+,49-,50+,51-,52+,53-,54+,55-,56-,57-,60-,61-,63+,64-,65+,66+,67+,87?/m1/s1

InChIKey

InChIKey=KYAFYTFKYPFMOV-GMTCHZTCSA-N

SMILES

C[C@]12[C@@](C[C@]3([C@](C)(O1)CC[C@]4([C@](O3)([C@H](C)C[C@]5([C@](O4)(C[C@@]6(C)[C@](O5)(C[C@]7([C@](O6)(C(C)=CC(=O)O7)[H])[H])[H])[H])[H])[H])[H])[H])(O[C@]8(C)[C@@](C2)(O[C@@]9([C@@](C=CC8)(O[C@@]%10([C@@](C9)(O[C@]%11(C)[C@@](C%10)(O[C@H](CC(CS(C[C@H](NC(CCCCCCCCCCCCC)=O)C(O)=O)=O)CO)C[C@@H]%11O)[H])[H])[H])[H])[H])[H])[H]

Canonical SMILES

O=C1OC2CC3OC4CC(C)C5OC6CC7OC8(C)CC=CC9OC%10CC%11OC(CC(O)C%11(OC%10CC9OC8CC7(OC6(C)CCC5OC4CC3(OC2C(=C1)C)C)C)C)CC(CO)CS(=O)CC(NC(=O)CCCCCCCCCCCCC)C(=O)O

Other Names for this Substance

  • Brevetoxin B, 43-[[(2R)-2-carboxy-2-[(1-oxotetradecyl)amino]ethyl]sulfinyl]-42-deoxo-41,43-dihydro-43-hydroxy-
  • N-Myristoyl-BTXB 2
  • N-Myristoyl-Brevetoxin B 2

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles