| SpectraBase Compound ID | IaP3vapRePD |
|---|---|
| InChI | InChI=1S/C42H66O15/c1-19-9-14-41(36(50)51)15-16-42(37(52)53)21(27(41)20(19)2)7-8-25-39(5)12-11-26(38(3,4)24(39)10-13-40(25,42)6)56-35-33(31(48)29(46)23(18-44)55-35)57-34-32(49)30(47)28(45)22(17-43)54-34/h7,19-20,22-35,43-49H,8-18H2,1-6H3,(H,50,51)(H,52,53)/t19-,20+,22-,23-,24?,25?,26+,27?,28-,29-,30+,31+,32-,33-,34+,35+,39+,40-,41+,42-/m1/s1 |
| InChIKey | YQFYRSHIAODRIQ-AZMKOPGESA-N |
| Mol Weight | 811.0 g/mol |
| Molecular Formula | C42H66O15 |
| Exact Mass | 810.440171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6rsELOKadwG |
|---|---|
| Name | PHELASIN-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O15 |
| InChI | InChI=1S/C42H66O15/c1-19-9-14-41(36(50)51)15-16-42(37(52)53)21(27(41)20(19)2)7-8-25-39(5)12-11-26(38(3,4)24(39)10-13-40(25,42)6)56-35-33(31(48)29(46)23(18-44)55-35)57-34-32(49)30(47)28(45)22(17-43)54-34/h7,19-20,22-35,43-49H,8-18H2,1-6H3,(H,50,51)(H,52,53)/t19-,20+,22-,23-,24?,25?,26+,27?,28-,29-,30+,31+,32-,33-,34+,35+,39+,40-,41+,42-/m1/s1 |
| InChIKey | YQFYRSHIAODRIQ-AZMKOPGESA-N |
| Literature Reference Author | N.P.SAHU,K.KOIKE,Z.JIA,B.ACHARI,S.BANERJEE,T.NIKAIDO |
| Literature Reference Citation | MAGN.RES.CHEM.,37,837(1999) |
| Literature Reference DOI | 10.1002/(sici)1097-458x(199911)37:11<837::aid-mrc567>3.3.co;2-p |
| Molecular Weight | 810.977 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWGE5197 |