Herbicidin B

CAS Registry Number®

55353-32-7

CAS Name

Herbicidin B

Molecular Formula

C18H23N5O9

Molecular Mass

453.40

Cite this Page

Herbicidin B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=55353-32-7 (retrieved 2025-05-09) (CAS RN: 55353-32-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H23N5O9/c1-28-12-10-6(30-16(12)23-5-22-8-14(19)20-4-21-15(8)23)3-7-18(27,32-10)13(25)9(24)11(31-7)17(26)29-2/h4-7,9-13,16,24-25,27H,3H2,1-2H3,(H2,19,20,21)/t6-,7-,9-,10+,11+,12-,13+,16-,18-/m1/s1

InChIKey

InChIKey=GZBSICLBZYSADI-DHNWSQMASA-N

SMILES

O(C)[C@@H]1[C@@]2([C@](O[C@H]1N3C=4C(N=C3)=C(N)N=CN4)(C[C@@]5([C@@](O)(O2)[C@@H](O)[C@H](O)[C@@H](C(OC)=O)O5)[H])[H])[H]

Canonical SMILES

O=C(OC)C1OC2CC3OC(N4C=NC=5C(=NC=NC54)N)C(OC)C3OC2(O)C(O)C1O

Other Names for this Substance

  • D-arabino-α-L-ido-7-Undeculo-7,3-pyranose-1,4-furanuronic acid, 1-(6-amino-9H-purin-9-yl)-6,10-anhydro-1,5-dideoxy-2-O-methyl-, methyl ester, (7S)-
  • Herbicidin B

CAS INSIGHTSTM
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