Spinosyn B

CAS Registry Number®

131929-61-8
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CAS Name

Spinosyn B

Molecular Formula

C40H63NO10

Molecular Mass

717.93

Cite this Page

Spinosyn B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=131929-61-8 (retrieved 2024-09-21) (CAS RN: 131929-61-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    81-89 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C40H63NO10/c1-9-25-11-10-12-33(51-35-16-15-32(41-5)22(3)47-35)21(2)36(43)31-19-29-27(30(31)20-34(42)49-25)14-13-24-17-26(18-28(24)29)50-40-39(46-8)38(45-7)37(44-6)23(4)48-40/h13-14,19,21-30,32-33,35,37-41H,9-12,15-18,20H2,1-8H3/t21-,22-,23+,24-,25+,26-,27-,28-,29-,30+,32+,33+,35+,37+,38-,39-,40+/m1/s1

InChIKey

InChIKey=VESRDXZDAAOUHS-KXRJSVEISA-N

SMILES

O([C@H]1C[C@]2([C@]3([C@]([C@]4(C(=C3)C(=O)[C@H](C)[C@@H](O[C@@H]5O[C@H](C)[C@@H](NC)CC5)CCC[C@H](CC)OC(=O)C4)[H])(C=C[C@@]2(C1)[H])[H])[H])[H])[C@H]6[C@H](OC)[C@H](OC)[C@@H](OC)[C@H](C)O6

Canonical SMILES

O=C1OC(CC)CCCC(OC2OC(C)C(NC)CC2)C(C(=O)C3=CC4C(C=CC5CC(OC6OC(C)C(OC)C(OC)C6OC)CC54)C3C1)C

Other Names for this Substance

  • 1H-as-Indaceno[3,2-d]oxacyclododecin-7,15-dione, 2-[(6-deoxy-2,3,4-tri-O-methyl-α-L-mannopyranosyl)oxy]-9-ethyl-2,3,3a,5a,5b,6,9,10,11,12,13,14,16a,16b-tetradecahydro-14-methyl-13-[[(2R,5S,6R)-tetrahydro-6-methyl-5-(methylamino)-2H-pyran-2-yl]oxy]-, (2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-
  • (2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-2-[(6-Deoxy-2,3,4-tri-O-methyl-α-L-mannopyranosyl)oxy]-9-ethyl-2,3,3a,5a,5b,6,9,10,11,12,13,14,16a,16b-tetradecahydro-14-methyl-13-[[(2R,5S,6R)-tetrahydro-6-methyl-5-(methylamino)-2H-pyran-2-yl]oxy]-1H-as-indaceno[3,2-d]oxacyclododecin-7,15-dione
  • A 83543B
  • Spinosyn B

Deleted or Replaced CAS Registry Numbers

2088136-40-5