Scutebata C

CAS Registry Number®

1207181-59-6

CAS Name

Scutebata C

Molecular Formula

C28H35NO9

Molecular Mass

529.58

Cite this Page

Scutebata C.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1207181-59-6 (retrieved 2024-12-26) (CAS RN: 1207181-59-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H35NO9/c1-15-8-6-10-19-26(15,3)23(38-24(33)17-9-7-11-29-13-17)22(32)28(5,35)27(19,4)20(37-16(2)30)12-18-14-36-25(34)21(18)31/h7-9,11,13,19-20,22-23,31-32,35H,6,10,12,14H2,1-5H3/t19-,20-,22-,23-,26-,27-,28-/m0/s1

InChIKey

InChIKey=ZZDJHMJHKZYAFI-MDLIPRPFSA-N

SMILES

[C@@H](CC1=C(O)C(=O)OC1)(OC(C)=O)[C@]2(C)[C@@]3([C@@](C)([C@@H](OC(=O)C=4C=CC=NC4)[C@H](O)[C@]2(C)O)C(C)=CCC3)[H]

Canonical SMILES

O=C1OCC(=C1O)CC(OC(=O)C)C2(C)C3CCC=C(C)C3(C)C(OC(=O)C=4C=NC=CC4)C(O)C2(O)C

Other Names for this Substance

  • 3-Pyridinecarboxylic acid, (1R,2S,3R,4S,4aS,8aR)-4-[(1S)-1-(acetyloxy)-2-(2,5-dihydro-4-hydroxy-5-oxo-3-furanyl)ethyl]-1,2,3,4,4a,5,6,8a-octahydro-2,3-dihydroxy-3,4,8,8a-tetramethyl-1-naphthalenyl ester
  • Scutebata C

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.