| SpectraBase Compound ID | 7g7oxt0PNXP |
|---|---|
| InChI | InChI=1S/C51H99NO15/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29-32-39(56)49(63)52-37(42(57)38(55)31-28-25-22-20-19-21-24-27-30-36(2)3)35-64-50-47(62)45(60)48(41(34-54)66-50)67-51-46(61)44(59)43(58)40(33-53)65-51/h36-48,50-51,53-62H,4-35H2,1-3H3,(H,52,63)/t37-,38-,39-,40-,41-,42+,43+,44+,45-,46-,47-,48-,50-,51+/m1/s1 |
| InChIKey | NBIFRVHEGKQASN-JCUWOJOMSA-N |
| Mol Weight | 966.3 g/mol |
| Molecular Formula | C51H99NO15 |
| Exact Mass | 965.701471 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E1r4gG86PKV |
|---|---|
| Name | NBIFRVHEGKQASN-JCUWOJOMSA-N |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H99NO15 |
| InChI | InChI=1S/C51H99NO15/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29-32-39(56)49(63)52-37(42(57)38(55)31-28-25-22-20-19-21-24-27-30-36(2)3)35-64-50-47(62)45(60)48(41(34-54)66-50)67-51-46(61)44(59)43(58)40(33-53)65-51/h36-48,50-51,53-62H,4-35H2,1-3H3,(H,52,63)/t37-,38-,39-,40-,41-,42+,43+,44+,45-,46-,47-,48-,50-,51+/m1/s1 |
| InChIKey | NBIFRVHEGKQASN-JCUWOJOMSA-N |
| Literature Reference Author | R.HIGUCHI,S.INOUE,K.INAGAKI,M.SAKAI,T.MIYAMOTO,T.KOMORI,M.IN AGAKI,R.ISOBE |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,287(2006) |
| Literature Reference DOI | 10.1248/cpb.54.287 |
| Molecular Weight | 966.345 g/mol |
| Sample ID | 36987 |
| Solvent | C5D5N:D2O=20:1 |