| SpectraBase Compound ID | dUlpemzD4q |
|---|---|
| InChI | InChI=1S/C39H53N7O12/c1-2-3-5-11-26-20-32(49)42-31(22-47)37(55)45-28(18-23-9-6-4-7-10-23)36(54)44-29(19-24-13-15-25(48)16-14-24)35(53)43-27(12-8-17-41-39(40)57)34(52)46-30(21-33(50)51)38(56)58-26/h4,6-7,9-10,13-16,26-31,47-48H,2-3,5,8,11-12,17-22H2,1H3,(H,42,49)(H,43,53)(H,44,54)(H,45,55)(H,46,52)(H,50,51)(H3,40,41,57)/t26?,27-,28+,29+,30+,31+/m1/s1 |
| InChIKey | ONZIPRUJMWNLDH-REVKYEQOSA-N |
| Mol Weight | 811.9 g/mol |
| Molecular Formula | C39H53N7O12 |
| Exact Mass | 811.37522 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KDhEO5m1Lsk |
|---|---|
| Name | SCYTONEMIDE_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H53N7O12 |
| InChI | InChI=1S/C39H53N7O12/c1-2-3-5-11-26-20-32(49)42-31(22-47)37(55)45-28(18-23-9-6-4-7-10-23)36(54)44-29(19-24-13-15-25(48)16-14-24)35(53)43-27(12-8-17-41-39(40)57)34(52)46-30(21-33(50)51)38(56)58-26/h4,6-7,9-10,13-16,26-31,47-48H,2-3,5,8,11-12,17-22H2,1H3,(H,42,49)(H,43,53)(H,44,54)(H,45,55)(H,46,52)(H,50,51)(H3,40,41,57)/t26?,27-,28+,29+,30+,31+/m1/s1 |
| InChIKey | ONZIPRUJMWNLDH-REVKYEQOSA-N |
| Literature Reference Author | A.KRUNIC,A.VALLAT,S.MO,D.D.LANTVIT,S.M.SWANSON,J.ORJALA |
| Literature Reference Citation | J.NAT.PROD.,73,1927(2010) |
| Literature Reference DOI | 10.1021/np100600z |
| Molecular Weight | 811.890 g/mol |
| Sample ID | 37098 |
| Solvent | DMSO-D6 |