| SpectraBase Compound ID | BplHw1p6Pqi |
|---|---|
| InChI | InChI=1S/C70H110O36/c1-25-36(76)43(83)54(104-61-49(89)52(102-59-46(86)41(81)39(79)31(20-71)97-59)50(26(2)96-61)100-57-44(84)37(77)29(74)22-93-57)62(95-25)106-64(92)70-17-15-65(3,4)19-28(70)27-9-10-34-66(5)13-12-35(67(6,24-73)33(66)11-14-69(34,8)68(27,7)16-18-70)99-63-55(105-60-47(87)42(82)40(80)32(21-72)98-60)51(48(88)53(103-63)56(90)91)101-58-45(85)38(78)30(75)23-94-58/h9,24-26,28-55,57-63,71-72,74-89H,10-23H2,1-8H3,(H,90,91)/t25-,26+,28?,29-,30-,31-,32-,33?,34?,35+,36+,37+,38+,39-,40+,41+,42+,43+,44-,45-,46-,47-,48+,49-,50+,51+,52+,53+,54-,55-,57+,58+,59+,60+,61+,62+,63-,66+,67+,68-,69-,70+/m1/s1 |
| InChIKey | SWVOOQWQNVLWAT-NIUHIKBJSA-N |
| Mol Weight | 1527.6 g/mol |
| Molecular Formula | C70H110O36 |
| Exact Mass | 1526.67768 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EQN5VnvSgqR |
|---|---|
| Name | SWVOOQWQNVLWAT-NIUHIKBJSA-N |
| Compound Number | G4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H110O36 |
| InChI | InChI=1S/C70H110O36/c1-25-36(76)43(83)54(104-61-49(89)52(102-59-46(86)41(81)39(79)31(20-71)97-59)50(26(2)96-61)100-57-44(84)37(77)29(74)22-93-57)62(95-25)106-64(92)70-17-15-65(3,4)19-28(70)27-9-10-34-66(5)13-12-35(67(6,24-73)33(66)11-14-69(34,8)68(27,7)16-18-70)99-63-55(105-60-47(87)42(82)40(80)32(21-72)98-60)51(48(88)53(103-63)56(90)91)101-58-45(85)38(78)30(75)23-94-58/h9,24-26,28-55,57-63,71-72,74-89H,10-23H2,1-8H3,(H,90,91)/t25-,26+,28?,29-,30-,31-,32-,33?,34?,35+,36+,37+,38+,39-,40+,41+,42+,43+,44-,45-,46-,47-,48+,49-,50+,51+,52+,53+,54-,55-,57+,58+,59+,60+,61+,62+,63-,66+,67+,68-,69-,70+/m1/s1 |
| InChIKey | SWVOOQWQNVLWAT-NIUHIKBJSA-N |
| Literature Reference Author | C.SIEPMANN,G.BADER,K.HILLER,V.WRAY,T.DOMKE,M.NIMTZ |
| Literature Reference Citation | PLANTA.MED.,64,159(1998) |
| Literature Reference DOI | 10.1055/s-2006-957395 |
| Molecular Weight | 1527.622 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UIAP1095 |