| SpectraBase Compound ID | 90CF1KmEkN3 |
|---|---|
| InChI | InChI=1S/C52H85N11O21/c1-2-3-4-5-6-7-8-9-10-11-36(84-52-45(76)44(75)35(68)25-83-52)43(74)34(67)18-27-19-39(71)60-32(23-64)50(81)63-41(42(73)26-12-14-28(66)15-13-26)51(82)56-17-16-29(53)46(77)57-22-40(72)59-30(20-37(54)69)48(79)62-33(24-65)49(80)61-31(21-38(55)70)47(78)58-27/h12-15,27,29-36,41-45,52,64-68,73-76H,2-11,16-25,53H2,1H3,(H2,54,69)(H2,55,70)(H,56,82)(H,57,77)(H,58,78)(H,59,72)(H,60,71)(H,61,80)(H,62,79)(H,63,81)/t27?,29-,30+,31+,32+,33+,34?,35-,36?,41+,42+,43?,44+,45-,52+/m1/s1 |
| InChIKey | CRUGICNLOHIKBE-MDLPKIBOSA-N |
| Mol Weight | 1200.3 g/mol |
| Molecular Formula | C52H85N11O21 |
| Exact Mass | 1199.592149 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BntwoJnxj7E |
|---|---|
| Name | OCCIDIOFUNGIN;R1=H |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H85N11O21 |
| InChI | InChI=1S/C52H85N11O21/c1-2-3-4-5-6-7-8-9-10-11-36(84-52-45(76)44(75)35(68)25-83-52)43(74)34(67)18-27-19-39(71)60-32(23-64)50(81)63-41(42(73)26-12-14-28(66)15-13-26)51(82)56-17-16-29(53)46(77)57-22-40(72)59-30(20-37(54)69)48(79)62-33(24-65)49(80)61-31(21-38(55)70)47(78)58-27/h12-15,27,29-36,41-45,52,64-68,73-76H,2-11,16-25,53H2,1H3,(H2,54,69)(H2,55,70)(H,56,82)(H,57,77)(H,58,78)(H,59,72)(H,60,71)(H,61,80)(H,62,79)(H,63,81)/t27?,29-,30+,31+,32+,33+,34?,35-,36?,41+,42+,43?,44+,45-,52+/m1/s1 |
| InChIKey | CRUGICNLOHIKBE-MDLPKIBOSA-N |
| Literature Reference Author | A.RAVICHANDRAN,G.GU,J.ESCANO,S.E.LU,L.SMITH |
| Literature Reference Citation | J.NAT.PROD.,76,150(2013) |
| Literature Reference DOI | 10.1021/np3005503 |
| Molecular Weight | 1200.308 g/mol |
| Sample ID | 42031 |
| Solvent | DMSO-D6 |