| SpectraBase Compound ID | 9Za0ZcGVnhK |
|---|---|
| InChI | InChI=1S/C53H84ClN11O15/c1-12-16-34-53(79)80-32(10)45(64-47(73)35(57-25-66)19-26(2)3)39(68)23-41(70)58-30(8)52(78)65(11)38(20-27(4)5)49(75)62-43(28(6)29(7)54)50(76)61-37(22-40(55)69)48(74)63-44(31(9)67)51(77)60-36(21-33-17-14-13-15-18-33)46(72)56-24-42(71)59-34/h13-15,17-18,25-32,34-39,43-45,67-68H,12,16,19-24H2,1-11H3,(H2,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,71)(H,60,77)(H,61,76)(H,62,75)(H,63,74)(H,64,73)/t28?,29?,30-,31?,32?,34-,35-,36+,37+,38-,39?,43?,44-,45?/m1/s1 |
| InChIKey | AJMDFTCNUCBHGU-GUUVJMSHSA-N |
| Mol Weight | 1150.8 g/mol |
| Molecular Formula | C53H84ClN11O15 |
| Exact Mass | 1149.583689 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DuRgdhEikRd |
|---|---|
| Name | PHORIOSPONGIN-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H84ClN11O15 |
| InChI | InChI=1S/C53H84ClN11O15/c1-12-16-34-53(79)80-32(10)45(64-47(73)35(57-25-66)19-26(2)3)39(68)23-41(70)58-30(8)52(78)65(11)38(20-27(4)5)49(75)62-43(28(6)29(7)54)50(76)61-37(22-40(55)69)48(74)63-44(31(9)67)51(77)60-36(21-33-17-14-13-15-18-33)46(72)56-24-42(71)59-34/h13-15,17-18,25-32,34-39,43-45,67-68H,12,16,19-24H2,1-11H3,(H2,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,71)(H,60,77)(H,61,76)(H,62,75)(H,63,74)(H,64,73)/t28?,29?,30-,31?,32?,34-,35-,36+,37+,38-,39?,43?,44-,45?/m1/s1 |
| InChIKey | AJMDFTCNUCBHGU-GUUVJMSHSA-N |
| Literature Reference Author | R.J.CAPON,J.FORD,E.LACEY,J.H.GILL,K.HEILAND,T.FRIEDEL |
| Literature Reference Citation | J.NAT.PROD.,65,358(2002) |
| Literature Reference DOI | 10.1021/np010329d |
| Molecular Weight | 1150.768 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI4070 |