| SpectraBase Compound ID | FoZUebYardM |
|---|---|
| InChI | InChI=1S/C37H56N10O11/c1-6-20(4)31-37(58)45-24(13-22-10-8-7-9-11-22)33(54)39-15-28(50)42-21(5)32(53)46-26(18-48)35(56)41-16-29(51)43-23(12-19(2)3)36(57)44-25(14-27(38)49)34(55)40-17-30(52)47-31/h7-11,19-21,23-26,31,48H,6,12-18H2,1-5H3,(H2,38,49)(H,39,54)(H,40,55)(H,41,56)(H,42,50)(H,43,51)(H,44,57)(H,45,58)(H,46,53)(H,47,52)/t20-,21-,23-,24-,25-,26-,31-/m0/s1 |
| InChIKey | MLZMJWLLJUPTQR-ZJBGBHMOSA-N |
| Mol Weight | 816.9 g/mol |
| Molecular Formula | C37H56N10O11 |
| Exact Mass | 816.413003 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GsSDzrK6wde |
|---|---|
| Name | CROTOGOSSAIDE;CYCLO-(-GLY-(1)-ALA-(2)-SER-(3)-GLY-(4)-LEU-(5)-ASN-(6)-GLY-(7)-ILE-(8)-PHE-(9)-) |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H56N10O11 |
| InChI | InChI=1S/C37H56N10O11/c1-6-20(4)31-37(58)45-24(13-22-10-8-7-9-11-22)33(54)39-15-28(50)42-21(5)32(53)46-26(18-48)35(56)41-16-29(51)43-23(12-19(2)3)36(57)44-25(14-27(38)49)34(55)40-17-30(52)47-31/h7-11,19-21,23-26,31,48H,6,12-18H2,1-5H3,(H2,38,49)(H,39,54)(H,40,55)(H,41,56)(H,42,50)(H,43,51)(H,44,57)(H,45,58)(H,46,53)(H,47,52)/t20-,21-,23-,24-,25-,26-,31-/m0/s1 |
| InChIKey | MLZMJWLLJUPTQR-ZJBGBHMOSA-N |
| Literature Reference Author | S.QUINTYNE-WALCOTT,A.R.MAXWELL,W.F.REYNOLDS |
| Literature Reference Citation | J.NAT.PROD.,70,1374(2007) |
| Literature Reference DOI | 10.1021/np078007i |
| Molecular Weight | 816.912 g/mol |
| Sample ID | 31456 |
| Solvent | DMSO-D6 |