Di Beta

CAS Registry Number®

23526-02-5

CAS Name

Di Beta

Molecular Formula

C22H32N5O19P

Molecular Mass

701.49

Cite this Page

Di Beta.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=23526-02-5 (retrieved 2024-11-24) (CAS RN: 23526-02-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H32N5O19P/c23-17-7-18(25-3-24-17)27(4-26-7)19-10(31)8(29)6(43-19)2-42-14-5(1-28)44-22(11(32)9(14)30)45-16(21(37)38)12(33)15(13(34)20(35)36)46-47(39,40)41/h3-6,8-16,19,22,28-34H,1-2H2,(H,35,36)(H,37,38)(H2,23,24,25)(H2,39,40,41)/t5-,6-,8-,9-,10-,11-,12-,13+,14-,15+,16-,19-,22-/m1/s1

InChIKey

InChIKey=OTLLEIBWKHEHGU-TUNUFRSWSA-N

SMILES

O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](CO[C@@H]4[C@@H](CO)O[C@H](O[C@H]([C@@H]([C@@H]([C@@H](C(O)=O)O)OP(=O)(O)O)O)C(O)=O)[C@H](O)[C@H]4O)[C@H]1O

Canonical SMILES

O=C(O)C(O)C(OP(=O)(O)O)C(O)C(OC1OC(CO)C(OCC2OC(N3C=NC=4C(=NC=NC43)N)C(O)C2O)C(O)C1O)C(=O)O

Other Names for this Substance

  • D-Allaric acid, O-5′-deoxyadenosin-5′-yl-(5′→4)-O-α-D-glucopyranosyl-(1→2)-, 4-(dihydrogen phosphate)
  • Exotoxin
  • Thuringiensin
  • β-Exotoxin (Bacillus thuringiensis)
  • Thuringiensin A

View All

Deleted or Replaced CAS Registry Numbers

12653-60-0, 159893-94-4

CAS INSIGHTSTM
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