| SpectraBase Compound ID | H52Vw6L8VQA |
|---|---|
| InChI | InChI=1S/C52H82ClN11O15/c1-11-16-33-52(78)79-31(9)44(63-46(72)34(56-25-65)20-26(3)4)38(67)23-40(69)57-29(7)51(77)64(10)37(17-12-2)48(74)61-42(27(5)28(6)53)49(75)60-36(22-39(54)68)47(73)62-43(30(8)66)50(76)59-35(21-32-18-14-13-15-19-32)45(71)55-24-41(70)58-33/h13-15,18-19,25-31,33-38,42-44,66-67H,11-12,16-17,20-24H2,1-10H3,(H2,54,68)(H,55,71)(H,56,65)(H,57,69)(H,58,70)(H,59,76)(H,60,75)(H,61,74)(H,62,73)(H,63,72)/t27?,28?,29-,30-,31?,33-,34-,35+,36-,37-,38?,42?,43-,44?/m1/s1 |
| InChIKey | JKJFLNUKQVXKOI-HXMIZMBNSA-N |
| Mol Weight | 1136.7 g/mol |
| Molecular Formula | C52H82ClN11O15 |
| Exact Mass | 1135.568039 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JtdSHGxcvOp |
|---|---|
| Name | PHORIOSPONGIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H82ClN11O15 |
| InChI | InChI=1S/C52H82ClN11O15/c1-11-16-33-52(78)79-31(9)44(63-46(72)34(56-25-65)20-26(3)4)38(67)23-40(69)57-29(7)51(77)64(10)37(17-12-2)48(74)61-42(27(5)28(6)53)49(75)60-36(22-39(54)68)47(73)62-43(30(8)66)50(76)59-35(21-32-18-14-13-15-19-32)45(71)55-24-41(70)58-33/h13-15,18-19,25-31,33-38,42-44,66-67H,11-12,16-17,20-24H2,1-10H3,(H2,54,68)(H,55,71)(H,56,65)(H,57,69)(H,58,70)(H,59,76)(H,60,75)(H,61,74)(H,62,73)(H,63,72)/t27?,28?,29-,30-,31?,33-,34-,35+,36-,37-,38?,42?,43-,44?/m1/s1 |
| InChIKey | JKJFLNUKQVXKOI-HXMIZMBNSA-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 | 1136.741 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI4069 |