Callystatin A

CAS Registry Number®

189883-16-7

CAS Name

Callystatin A

Molecular Formula

C29H44O4

Molecular Mass

456.66

Cite this Page

Callystatin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=189883-16-7 (retrieved 2025-01-03) (CAS RN: 189883-16-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H44O4/c1-8-22(5)28(31)24(7)29(32)23(6)18-20(3)12-10-13-21(4)19-25(9-2)16-17-26-14-11-15-27(30)33-26/h10-12,15-19,21-24,26,28,31H,8-9,13-14H2,1-7H3/b12-10+,17-16+,20-18+,25-19-/t21-,22+,23-,24+,26-,28-/m1/s1

InChIKey

InChIKey=QPJTWGLLJWBDQW-KMMMXHTBSA-N

SMILES

C(=C/C(=C\[C@@H](C/C=C/C(=C/[C@H](C([C@H]([C@@H]([C@H](CC)C)O)C)=O)C)/C)C)/CC)\[C@@H]1OC(=O)C=CC1

Canonical SMILES

O=C1OC(C=CC(=CC(C)CC=CC(=CC(C(=O)C(C)C(O)C(C)CC)C)C)CC)CC=C1

Other Names for this Substance

  • 2H-Pyran-2-one, 6-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S)-3-ethyl-14-hydroxy-5,9,11,13,15-pentamethyl-12-oxo-1,3,7,9-heptadecatetraen-1-yl]-5,6-dihydro-, (6R)-
  • 2H-Pyran-2-one, 6-(3-ethyl-14-hydroxy-5,9,11,13,15-pentamethyl-12-oxo-1,3,7,9-heptadecatetraenyl)-5,6-dihydro-, [6R-[6R*(1E,3Z,5R*,7E,9E,11R*,13S*,14R*,15S*)]]-
  • 2H-Pyran-2-one, 6-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S)-3-ethyl-14-hydroxy-5,9,11,13,15-pentamethyl-12-oxo-1,3,7,9-heptadecatetraenyl]-5,6-dihydro-, (6R)-
  • (6R)-6-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S)-3-Ethyl-14-hydroxy-5,9,11,13,15-pentamethyl-12-oxo-1,3,7,9-heptadecatetraen-1-yl]-5,6-dihydro-2H-pyran-2-one
  • Callystatin A

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