(+)-Actinobolin

CAS Registry Number®

24397-89-5

CAS Name

(+)-Actinobolin

Molecular Formula

C13H20N2O6

Molecular Mass

300.31

Cite this Page

(+)-Actinobolin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=24397-89-5 (retrieved 2024-12-22) (CAS RN: 24397-89-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H20N2O6/c1-4(14)12(19)15-10-5(2)21-13(20)8-6(16)3-7(17)11(18)9(8)10/h4-5,7,9-11,16-18H,3,14H2,1-2H3,(H,15,19)/t4-,5+,7+,9+,10-,11-/m0/s1

InChIKey

InChIKey=PQVQBAAWCOTEBG-NSVWQLETSA-N

SMILES

N(C([C@H](C)N)=O)[C@@H]1[C@]2(C(C(=O)O[C@@H]1C)=C(O)C[C@@H](O)[C@@H]2O)[H]

Canonical SMILES

O=C1OC(C)C(NC(=O)C(N)C)C2C1=C(O)CC(O)C2O

Other Names for this Substance

  • Propanamide, 2-amino-N-[(3R,4R,4aR,5R,6R)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]-, (2S)-
  • Isocoumarin, 4-(2-aminopropionamido)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-
  • Propanamide, 2-amino-N-(3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl)-, [3R-[3α,4α(S*),4aβ,5β,6α]]-
  • (2S)-2-Amino-N-[(3R,4R,4aR,5R,6R)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]propanamide
  • Actinobolin

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Deleted or Replaced CAS Registry Numbers

11002-80-5

CAS INSIGHTSTM
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