| SpectraBase Compound ID | 6KMKiorFGgm |
|---|---|
| InChI | InChI=1S/C59H105N13O18/c1-6-8-10-12-13-15-20-24-38(76)26-27-40-53(84)64-33-48(81)63-29-28-47(80)66-39(25-21-17-14-16-19-23-37(75)22-18-11-9-7-2)54(85)69-43(32-46(61)79)56(87)70-42(31-45(60)78)55(86)65-34(3)52(83)68-41(30-44(77)51(62)82)57(88)71-50(36(5)74)59(90)72-49(35(4)73)58(89)67-40/h34-44,49-50,73-77H,6-33H2,1-5H3,(H2,60,78)(H2,61,79)(H2,62,82)(H,63,81)(H,64,84)(H,65,86)(H,66,80)(H,67,89)(H,68,83)(H,69,85)(H,70,87)(H,71,88)(H,72,90)/t34-,35-,36-,37?,38?,39?,40?,41?,42-,43-,44?,49+,50-/m1/s1 |
| InChIKey | AHATVKJRQUTSJV-KRTGVCOKSA-N |
| Mol Weight | 1284.6 g/mol |
| Molecular Formula | C59H105N13O18 |
| Exact Mass | 1283.770054 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4VPpGu2tPoM |
|---|---|
| Name | ARBORCANDIN-C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H105N13O18 |
| InChI | InChI=1S/C59H105N13O18/c1-6-8-10-12-13-15-20-24-38(76)26-27-40-53(84)64-33-48(81)63-29-28-47(80)66-39(25-21-17-14-16-19-23-37(75)22-18-11-9-7-2)54(85)69-43(32-46(61)79)56(87)70-42(31-45(60)78)55(86)65-34(3)52(83)68-41(30-44(77)51(62)82)57(88)71-50(36(5)74)59(90)72-49(35(4)73)58(89)67-40/h34-44,49-50,73-77H,6-33H2,1-5H3,(H2,60,78)(H2,61,79)(H2,62,82)(H,63,81)(H,64,84)(H,65,86)(H,66,80)(H,67,89)(H,68,83)(H,69,85)(H,70,87)(H,71,88)(H,72,90)/t34-,35-,36-,37?,38?,39?,40?,41?,42-,43-,44?,49+,50-/m1/s1 |
| InChIKey | AHATVKJRQUTSJV-KRTGVCOKSA-N |
| Literature Reference Author | T.OHYAMA,Y.IWADATE-KURIHARA,T.ISHIKAWA,S.MIYAKOSHI,K.HAMANO, M.INUKAI |
| Literature Reference Citation | J.ANTIBIOTICS,56,1024(2003) |
| Literature Reference DOI | 10.7164/antibiotics.56.1024 |
| Molecular Weight | 1284.559 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSP667 |