| SpectraBase Compound ID | AQ6nqaXGjjr |
|---|---|
| InChI | InChI=1S/C96H136O46/c1-39(41(3)120-46(8)98)82(112)121-42(4)40(2)83(113)137-68-43(5)123-87(80(73(68)130-53(15)105)140-86-79(139-85-77(134-57(19)109)72(129-52(14)104)63(38-119-85)125-48(10)100)74(131-54(16)106)69(44(6)122-86)138-84-76(133-56(18)108)71(128-51(13)103)62(37-118-84)124-47(9)99)142-90(116)96-32-31-91(21,22)33-60(96)59-27-28-65-92(23)34-61(111)81(95(26,89(114)115)66(92)29-30-93(65,24)94(59,25)35-67(96)126-49(11)101)141-88-78(135-58(20)110)75(132-55(17)107)70(127-50(12)102)64(136-88)36-117-45(7)97/h27,39-44,60-81,84-88,111H,28-38H2,1-26H3,(H,114,115)/t39?,40?,41?,42?,43-,44-,60?,61+,62-,63+,64-,65?,66?,67-,68+,69-,70-,71+,72+,73+,74+,75+,76-,77-,78-,79+,80-,81+,84+,85+,86-,87+,88+,92-,93-,94-,95+,96-/m1/s1 |
| InChIKey | XNCRNMZWSHMSBM-XIWTVYQASA-N |
| Mol Weight | 2026.1 g/mol |
| Molecular Formula | C96H136O46 |
| Exact Mass | 2024.830277 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1pVuzq9qtcK |
|---|---|
| Name | XNCRNMZWSHMSBM-XIWTVYQASA-N |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C96H136O46 |
| InChI | InChI=1S/C96H136O46/c1-39(41(3)120-46(8)98)82(112)121-42(4)40(2)83(113)137-68-43(5)123-87(80(73(68)130-53(15)105)140-86-79(139-85-77(134-57(19)109)72(129-52(14)104)63(38-119-85)125-48(10)100)74(131-54(16)106)69(44(6)122-86)138-84-76(133-56(18)108)71(128-51(13)103)62(37-118-84)124-47(9)99)142-90(116)96-32-31-91(21,22)33-60(96)59-27-28-65-92(23)34-61(111)81(95(26,89(114)115)66(92)29-30-93(65,24)94(59,25)35-67(96)126-49(11)101)141-88-78(135-58(20)110)75(132-55(17)107)70(127-50(12)102)64(136-88)36-117-45(7)97/h27,39-44,60-81,84-88,111H,28-38H2,1-26H3,(H,114,115)/t39?,40?,41?,42?,43-,44-,60?,61+,62-,63+,64-,65?,66?,67-,68+,69-,70-,71+,72+,73+,74+,75+,76-,77-,78-,79+,80-,81+,84+,85+,86-,87+,88+,92-,93-,94-,95+,96-/m1/s1 |
| InChIKey | XNCRNMZWSHMSBM-XIWTVYQASA-N |
| Literature Reference Author | C.LAVAUD,L.VOUTQUENNE,G.MASSIOT,L.L.MEN-OLIVIER,B.C.DAS,O.LA PREVOTE,L.SERANI,C.D |
| Literature Reference Citation | PHYTOCHEM.,47,441(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00586-4 |
| Molecular Weight | 2026.108 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS182 |