| SpectraBase Compound ID | 9pXxoTMQ0Pt |
|---|---|
| InChI | InChI=1S/C47H80O19/c1-42(2)27(52)10-12-44(5)26-15-21(50)29-20(47(8)14-11-28(66-47)43(3,4)59)9-13-45(29,6)46(26,7)16-23(38(42)44)61-40-36(33(56)31(54)24(17-48)62-40)65-41-37(34(57)32(55)25(18-49)63-41)64-39-35(58)30(53)22(51)19-60-39/h20-41,48-59H,9-19H2,1-8H3/t20?,21-,22+,23+,24+,25+,26?,27+,28-,29?,30-,31+,32+,33-,34-,35+,36+,37+,38?,39-,40+,41-,44-,45-,46-,47-/m1/s1 |
| InChIKey | AICKXAXCPBHDBZ-FRGDVZQYSA-N |
| Mol Weight | 949.1 g/mol |
| Molecular Formula | C47H80O19 |
| Exact Mass | 948.52938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5sVSt5Gk1Ss |
|---|---|
| Name | YESANCHINOSIDE-C;6-O-BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-20(S),24(S)-EPOXYDAMMARANE-3-BETA,6-ALPHA,12-BE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H80O19 |
| InChI | InChI=1S/C47H80O19/c1-42(2)27(52)10-12-44(5)26-15-21(50)29-20(47(8)14-11-28(66-47)43(3,4)59)9-13-45(29,6)46(26,7)16-23(38(42)44)61-40-36(33(56)31(54)24(17-48)62-40)65-41-37(34(57)32(55)25(18-49)63-41)64-39-35(58)30(53)22(51)19-60-39/h20-41,48-59H,9-19H2,1-8H3/t20?,21-,22+,23+,24+,25+,26?,27+,28-,29?,30-,31+,32+,33-,34-,35+,36+,37+,38?,39-,40+,41-,44-,45-,46-,47-/m1/s1 |
| InChIKey | AICKXAXCPBHDBZ-FRGDVZQYSA-N |
| Literature Reference Author | K.ZOU,S.ZHU,C.TOHDA,S.CAI,K.KOMATSU |
| Literature Reference Citation | J.NAT.PROD.,65,346(2002) |
| Literature Reference DOI | 10.1021/np010354j |
| Molecular Weight | 949.141 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI4057 |