| SpectraBase Compound ID | LqM4J8reljI |
|---|---|
| InChI | InChI=1S/C48H77N7O16/c1-5-25(2)14-12-10-8-6-7-9-11-13-15-35(61)49-31-21-34(60)44(67)53-46(69)38-39(62)26(3)22-55(38)47(70)32(24-56)50-45(68)37(41(64)40(63)28-16-18-29(58)19-17-28)52-43(66)33-20-30(59)23-54(33)48(71)36(27(4)57)51-42(31)65/h16-19,25-27,30-34,36-41,44,56-60,62-64,67H,5-15,20-24H2,1-4H3,(H,49,61)(H,50,68)(H,51,65)(H,52,66)(H,53,69) |
| InChIKey | WUPSJTQKGFMDON-UHFFFAOYSA-N |
| Mol Weight | 1008.2 g/mol |
| Molecular Formula | C48H77N7O16 |
| Exact Mass | 1007.542679 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CiXDmwno2wn |
|---|---|
| Name | MULUNDOCANDIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H77N7O16 |
| InChI | InChI=1S/C48H77N7O16/c1-5-25(2)14-12-10-8-6-7-9-11-13-15-35(61)49-31-21-34(60)44(67)53-46(69)38-39(62)26(3)22-55(38)47(70)32(24-56)50-45(68)37(41(64)40(63)28-16-18-29(58)19-17-28)52-43(66)33-20-30(59)23-54(33)48(71)36(27(4)57)51-42(31)65/h16-19,25-27,30-34,36-41,44,56-60,62-64,67H,5-15,20-24H2,1-4H3,(H,49,61)(H,50,68)(H,51,65)(H,52,66)(H,53,69) |
| InChIKey | WUPSJTQKGFMDON-UHFFFAOYSA-N |
| Literature Reference Author | T.MUKHOPADHYAY,K.ROY,R.G.BHAT,S.N.SAWANT,J.BLUMBACH,B.N.GANG ULI,H.W.FEHLHABER,H. |
| Literature Reference Citation | J.ANTIBIOTICS,45,618(1992) |
| Literature Reference DOI | 10.7164/antibiotics.45.618 |
| Molecular Weight | 1008.177 g/mol |
| Sample ID | 45860 |
| Solvent | DMSO-D6 |