| SpectraBase Compound ID | 8X9BnnpjVme |
|---|---|
| InChI | InChI=1S/C38H58O16S/c1-16-6-9-38(49-14-16)17(2)28-24(53-38)13-22-27-21(7-8-36(22,28)4)37(5)19(11-23(27)40)10-20(39)12-26(37)51-35-33(30(42)25(15-48-35)54-55(45,46)47)52-34-32(44)31(43)29(41)18(3)50-34/h11,16-18,20-22,24-35,39,41-44H,6-10,12-15H2,1-5H3,(H,45,46,47)/t16-,17+,18-,20-,21+,22+,24+,25-,26-,27-,28+,29-,30-,31+,32+,33+,34-,35-,36+,37+,38+/m1/s1 |
| InChIKey | VVCXRPHNKJANFX-ZXWLNZHISA-N |
| Mol Weight | 802.9 g/mol |
| Molecular Formula | C38H58O16S |
| Exact Mass | 802.344557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FcbZk5FQoND |
|---|---|
| Name | ANGUDRACANOSIDE_A;(25-S)-SPIROST-5-ENE-7-KETO-1-BETA,3-BETA-DIOL-1-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-(4-O-SULFO)-ALPHA-L-ARABINOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H58O16S |
| InChI | InChI=1S/C38H58O16S/c1-16-6-9-38(49-14-16)17(2)28-24(53-38)13-22-27-21(7-8-36(22,28)4)37(5)19(11-23(27)40)10-20(39)12-26(37)51-35-33(30(42)25(15-48-35)54-55(45,46)47)52-34-32(44)31(43)29(41)18(3)50-34/h11,16-18,20-22,24-35,39,41-44H,6-10,12-15H2,1-5H3,(H,45,46,47)/t16-,17+,18-,20-,21+,22+,24+,25-,26-,27-,28+,29-,30-,31+,32+,33+,34-,35-,36+,37+,38+/m1/s1 |
| InChIKey | VVCXRPHNKJANFX-ZXWLNZHISA-N |
| Literature Reference Author | M.XU,Y.J.ZHANG,X.C.LI,M.R.JACOB,C.R.YANG |
| Literature Reference Citation | J.NAT.PROD.,73,1524(2010) |
| Literature Reference DOI | 10.1021/np100351p |
| Molecular Weight | 802.929 g/mol |
| Sample ID | 36325 |
| Solvent | C5D5N |