| SpectraBase Compound ID | HlRbE32Mngc |
|---|---|
| InChI | InChI=1S/C44H58O6/c1-28(2)15-11-17-30(5)19-13-20-32(7)22-26-43-36(45)27-33(8)41(47)44(43,48)50-39-35-23-25-42(10,49-40(35)38(46)34(9)37(39)43)24-14-21-31(6)18-12-16-29(3)4/h15-16,19,21-23,25,27,46,48H,11-14,17-18,20,24,26H2,1-10H3/b30-19+,31-21+,32-22-/t42-,43?,44?/m1/s1 |
| InChIKey | BIIBZAQPPUWOPA-IUOBAPDLSA-N |
| Mol Weight | 682.9 g/mol |
| Molecular Formula | C44H58O6 |
| Exact Mass | 682.42334 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8jghrxMW7S0 |
|---|---|
| Name | ALBATRELIN_F;TAUTOMER_1 |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H58O6 |
| InChI | InChI=1S/C44H58O6/c1-28(2)15-11-17-30(5)19-13-20-32(7)22-26-43-36(45)27-33(8)41(47)44(43,48)50-39-35-23-25-42(10,49-40(35)38(46)34(9)37(39)43)24-14-21-31(6)18-12-16-29(3)4/h15-16,19,21-23,25,27,46,48H,11-14,17-18,20,24,26H2,1-10H3/b30-19+,31-21+,32-22-/t42-,43?,44?/m1/s1 |
| InChIKey | BIIBZAQPPUWOPA-IUOBAPDLSA-N |
| Literature Reference Author | L.Y.LIU,Z.H.LI,Z.H.DING,Z.J.DONG,G.T.LI,Y.LI,J.K.LIU |
| Literature Reference Citation | J.NAT.PROD.,76,79(2013) |
| Literature Reference DOI | 10.1021/np300751m |
| Molecular Weight | 682.941 g/mol |
| Sample ID | 41042 |
| Solvent | ACETONE-D6 |