Herbicidin A

CAS Registry Number®

55353-31-6
No image available.

CAS Name

Herbicidin A

Molecular Formula

C23H29N5O11

Molecular Mass

551.50

Cite this Page

Herbicidin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=55353-31-6 (retrieved 2024-06-26) (CAS RN: 55353-31-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H29N5O11/c1-4-9(6-29)21(31)38-17-13(30)15(22(32)35-3)37-11-5-10-14(39-23(11,17)33)16(34-2)20(36-10)28-8-27-12-18(24)25-7-26-19(12)28/h4,7-8,10-11,13-17,20,29-30,33H,5-6H2,1-3H3,(H2,24,25,26)/b9-4+/t10-,11-,13-,14+,15+,16-,17+,20-,23-/m1/s1

InChIKey

InChIKey=LOWKANMKNQBRPJ-MRAUHCMASA-N

SMILES

O[C@]12[C@@](C[C@@]3([C@](O1)([C@@H](OC)[C@@H](O3)N4C=5C(N=C4)=C(N)N=CN5)[H])[H])(O[C@H](C(OC)=O)[C@@H](O)[C@@H]2OC(/C(=C/C)/CO)=O)[H]

Canonical SMILES

O=C(OC1C(O)C(OC2CC3OC(N4C=NC=5C(=NC=NC54)N)C(OC)C3OC21O)C(=O)OC)C(=CC)CO

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, 8-[(2E)-2-(hydroxymethyl)-2-butenoate], (7R)-
  • Herbicidin A