Scutebarbatine Y

CAS Registry Number®

1312716-27-0
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CAS Name

Scutebarbatine Y

Molecular Formula

C33H35NO7

Molecular Mass

557.63

Cite this Page

Scutebarbatine Y.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1312716-27-0 (retrieved 2024-05-05) (CAS RN: 1312716-27-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H35NO7/c1-21-10-8-14-25-31(2,16-15-22-18-26(35)39-20-22)33(4,38)28(41-30(37)24-13-9-17-34-19-24)27(32(21,25)3)40-29(36)23-11-6-5-7-12-23/h5-7,9-13,15-19,25,27-28,38H,8,14,20H2,1-4H3/b16-15+/t25-,27+,28+,31-,32+,33+/m1/s1

InChIKey

InChIKey=PFWQIGHLLAXZMX-IWSWVWQKSA-N

SMILES

C[C@@]12[C@@H](OC(=O)C3=CC=CC=C3)[C@H](OC(=O)C=4C=CC=NC4)[C@](C)(O)[C@@](/C=C/C=5COC(=O)C5)(C)[C@]1(CCC=C2C)[H]

Canonical SMILES

O=C1OCC(C=CC2(C)C3CCC=C(C)C3(C)C(OC(=O)C=4C=CC=CC4)C(OC(=O)C=5C=NC=CC5)C2(O)C)=C1

Other Names for this Substance

  • 3-Pyridinecarboxylic acid, (1R,2S,3R,4R,4aS,8aR)-1-(benzoyloxy)-4-[(1E)-2-(2,5-dihydro-5-oxo-3-furanyl)ethenyl]-1,2,3,4,4a,5,6,8a-octahydro-3-hydroxy-3,4,8,8a-tetramethyl-2-naphthalenyl ester
  • Scutebarbatine Y

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