| SpectraBase Compound ID | 4cH9jtLb1eN |
|---|---|
| InChI | InChI=1S/C45H89NO10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29-32-38(49)44(54)46-36(34-55-45-43(53)42(52)41(51)39(33-47)56-45)40(50)37(48)31-28-25-22-20-19-21-24-27-30-35(2)3/h35-43,45,47-53H,4-34H2,1-3H3,(H,46,54)/t36-,37-,38+,39-,40+,41-,42+,43-,45-/m0/s1 |
| InChIKey | WEZNHIWHEVJNDO-MGMSOWKQSA-N |
| Mol Weight | 804.2 g/mol |
| Molecular Formula | C45H89NO10 |
| Exact Mass | 803.648648 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cx6d56tQl1w |
|---|---|
| Name | MAJOR-ISO-CHAIN |
| Compound Number | LLC-2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H89NO10 |
| InChI | InChI=1S/C45H89NO10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29-32-38(49)44(54)46-36(34-55-45-43(53)42(52)41(51)39(33-47)56-45)40(50)37(48)31-28-25-22-20-19-21-24-27-30-35(2)3/h35-43,45,47-53H,4-34H2,1-3H3,(H,46,54)/t36-,37-,38+,39-,40+,41-,42+,43-,45-/m0/s1 |
| InChIKey | WEZNHIWHEVJNDO-MGMSOWKQSA-N |
| Literature Reference Author | T.MARUTA,T.SAITO,M.INAGAKI,O.SHIBATA,R.HIGUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,53,1255(2005) |
| Literature Reference DOI | 10.1248/cpb.53.1255 |
| Molecular Weight | 804.202 g/mol |
| Sample ID | 46152 |
| Solvent | C5D5N |