| SpectraBase Compound ID | JV8op3BZyK4 |
|---|---|
| InChI | InChI=1S/C72H98O37/c1-31-25-71-23-19-50-69(16,21-18-22-70(50,17)68(87)108-66-62(101-45(15)86)58(98-42(12)83)54(94-38(8)79)48(104-66)28-90-34(4)75)51(71)20-24-72(31,30-71)109-67-63(107-65-61(100-44(14)85)57(97-41(11)82)53(93-37(7)78)47(103-65)27-89-33(3)74)59(55(95-39(9)80)49(105-67)29-91-35(5)76)106-64-60(99-43(13)84)56(96-40(10)81)52(92-36(6)77)46(102-64)26-88-32(2)73/h46-67H,1,18-30H2,2-17H3/t46-,47+,48+,49-,50-,51-,52-,53+,54+,55-,56+,57-,58-,59+,60-,61+,62+,63-,64+,65-,66-,67+,69?,70+,71+,72-/m0/s1 |
| InChIKey | VHDJKXQOPSMGOF-AGHITEFHSA-N |
| Mol Weight | 1555.5 g/mol |
| Molecular Formula | C72H98O37 |
| Exact Mass | 1554.578694 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GKMOPfW0hvB |
|---|---|
| Name | PER-ACETYLATED-REB-A |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H98O37 |
| InChI | InChI=1S/C72H98O37/c1-31-25-71-23-19-50-69(16,21-18-22-70(50,17)68(87)108-66-62(101-45(15)86)58(98-42(12)83)54(94-38(8)79)48(104-66)28-90-34(4)75)51(71)20-24-72(31,30-71)109-67-63(107-65-61(100-44(14)85)57(97-41(11)82)53(93-37(7)78)47(103-65)27-89-33(3)74)59(55(95-39(9)80)49(105-67)29-91-35(5)76)106-64-60(99-43(13)84)56(96-40(10)81)52(92-36(6)77)46(102-64)26-88-32(2)73/h46-67H,1,18-30H2,2-17H3/t46-,47+,48+,49-,50-,51-,52-,53+,54+,55-,56+,57-,58-,59+,60-,61+,62+,63-,64+,65-,66-,67+,69?,70+,71+,72-/m0/s1 |
| InChIKey | VHDJKXQOPSMGOF-AGHITEFHSA-N |
| Literature Reference Author | M.UPRETI,G.DUBOIS,I.PRAKASH |
| Literature Reference Citation | MOLECULES,17,4186(2012) |
| Literature Reference DOI | 10.3390/molecules17044186 |
| Molecular Weight | 1555.548 g/mol |
| Sample ID | 1710 |
| Solvent | Unknown |