Bookmark and Share
Please login to be able to add spectra, identifiers, links and publications.
  • Comments
  • Image
  • Spectrum
  • CIF
  • Identifier
  • Description
  • Add:
Inherent Properties, Identifiers and References
ChemSpider ID: 4942914
Empirical Formula: C32H36N2O5
Molecular Weight: 528.6386
Nominal Mass: 528 Da
Average Mass: 528.6386 Da
Monoisotopic Mass: 528.262422 Da
Systematic Name: (1E,4S,5E,7R,9E,11aR,14S,14aR,15S,15aR,16aS,16bR)-7-hydroxy-14-(1​H-indol-3-ylmethyl)-4,6,15,15a-tetramethyl-4,7,14,14a,15,15a,16a,​16b-octahydro-3H-cyclotrideca[d]oxireno[f]isoindole-8,11,12(13H)-​trion e
SMILES: O=C6\C=C\C(=O)[C@H](O)C(=C\[C@@H](C)C/C=C/[C@@H]3[C@@]61C(=O)N[C@​H]([C@@H]1[C@@H]([C@]2(O[C@H]23)C)C)Cc5c4ccccc4nc5)\C Copy
InChI: InChI=1/C32H36N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20​-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)2​8(37)18(2)14-17/h5-7,9-14,16-17,19,22,24,27-29,33,37H,8,15H2,1-4H​3,(H,34,38)/b10-7+,13-12+,18-14+/t17-,19-,22-,24-,27-,28+,29-,31+​,32+/m0/s1 Copy
InChIKey: OUMWCYMRLMEZJH-VOXRAUTJBA
Std. InChI: InChI=1S/C32H36N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-2​0-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)​28(37)18(2)14-17/h5-7,9-14,16-17,19,22,24,27-29,33,37H,8,15H2,1-4​H3,(H,34,38)/b10-7+,13-12+,18-14+/t17-,19-,22-,24-,27-,28+,29-,31​+,32+/m0/s1 Copy
Std. InChIKey: OUMWCYMRLMEZJH-VOXRAUTJSA-N
FilterAssociated Data Sources and Commercial Suppliers
Articles
Identifiers
Predicted Properties
SimBioSys LASSO