| SpectraBase Compound ID | UOnI9rerF1 |
|---|---|
| InChI | InChI=1S/C50H84O22/c1-8-11-17-20-29-21-18-15-13-12-14-16-19-22-32(53)67-43-39(70-47-38(59)37(58)40(31(24-52)66-47)68-45(60)25(4)9-2)28(7)63-50(44(43)69-46(61)26(5)10-3)72-42-36(57)34(55)30(23-51)65-49(42)71-41-35(56)33(54)27(6)62-48(41)64-29/h9,26-31,33-44,47-52,54-59H,8,10-24H2,1-7H3/b25-9+/t26-,27+,28-,29-,30+,31+,33+,34+,35-,36-,37+,38+,39-,40+,41+,42+,43+,44+,47-,48-,49-,50-/m0/s1 |
| InChIKey | ATAAFPJNNNHRBG-NMXLJTGKSA-N |
| Mol Weight | 1037.2 g/mol |
| Molecular Formula | C50H84O22 |
| Exact Mass | 1036.545424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hbw2zLAPG4a |
|---|---|
| Name | SCAMMONIN_VIII;(11-S)-JALAPINOLIC-ACID_11-O-4-O-TIGLYL-BETA-D-GLUCOPYRANOSYL-(1->4)-O-2-O-(2-S)-2-METHYLBUTYRYL-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O- |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H84O22 |
| InChI | InChI=1S/C50H84O22/c1-8-11-17-20-29-21-18-15-13-12-14-16-19-22-32(53)67-43-39(70-47-38(59)37(58)40(31(24-52)66-47)68-45(60)25(4)9-2)28(7)63-50(44(43)69-46(61)26(5)10-3)72-42-36(57)34(55)30(23-51)65-49(42)71-41-35(56)33(54)27(6)62-48(41)64-29/h9,26-31,33-44,47-52,54-59H,8,10-24H2,1-7H3/b25-9+/t26-,27+,28-,29-,30+,31+,33+,34+,35-,36-,37+,38+,39-,40+,41+,42+,43+,44+,47-,48-,49-,50-/m0/s1 |
| InChIKey | ATAAFPJNNNHRBG-NMXLJTGKSA-N |
| Literature Reference Author | N.NODA,H.KOGETSU,T.KAWASAKI,K.MIYAHARA |
| Literature Reference Citation | PHYTOCHEM.,31,2761(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83626-A |
| Molecular Weight | 1037.204 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ21434 |