| SpectraBase Compound ID | alPJ0y3jDG |
|---|---|
| InChI | InChI=1S/C52H85N11O22/c1-2-3-4-5-6-7-8-9-10-11-34(85-52-44(76)42(74)33(68)24-84-52)41(73)32(67)18-26-19-36(70)60-30(22-64)48(80)62-38(40(72)25-12-14-27(66)15-13-25)50(82)56-17-16-28(53)46(78)57-21-37(71)59-29(20-35(54)69)47(79)61-31(23-65)49(81)63-39(51(83)58-26)43(75)45(55)77/h12-15,26,28-34,38-44,52,64-68,72-76H,2-11,16-24,53H2,1H3,(H2,54,69)(H2,55,77)(H,56,82)(H,57,78)(H,58,83)(H,59,71)(H,60,70)(H,61,79)(H,62,80)(H,63,81)/t26?,28-,29+,30+,31+,32?,33-,34?,38+,39+,40+,41?,42+,43?,44-,52+/m1/s1 |
| InChIKey | XIBAERUHRFVUJP-IKGFPUQASA-N |
| Mol Weight | 1216.3 g/mol |
| Molecular Formula | C52H85N11O22 |
| Exact Mass | 1215.587063 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F5DQL1zzDnh |
|---|---|
| Name | OCCIDIOFUNGIN;R1=OH |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H85N11O22 |
| InChI | InChI=1S/C52H85N11O22/c1-2-3-4-5-6-7-8-9-10-11-34(85-52-44(76)42(74)33(68)24-84-52)41(73)32(67)18-26-19-36(70)60-30(22-64)48(80)62-38(40(72)25-12-14-27(66)15-13-25)50(82)56-17-16-28(53)46(78)57-21-37(71)59-29(20-35(54)69)47(79)61-31(23-65)49(81)63-39(51(83)58-26)43(75)45(55)77/h12-15,26,28-34,38-44,52,64-68,72-76H,2-11,16-24,53H2,1H3,(H2,54,69)(H2,55,77)(H,56,82)(H,57,78)(H,58,83)(H,59,71)(H,60,70)(H,61,79)(H,62,80)(H,63,81)/t26?,28-,29+,30+,31+,32?,33-,34?,38+,39+,40+,41?,42+,43?,44-,52+/m1/s1 |
| InChIKey | XIBAERUHRFVUJP-IKGFPUQASA-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 | 1216.307 g/mol |
| Sample ID | 42032 |
| Solvent | DMSO-D6 |