![#3;TROJANOSIDE-C;3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL]-24-O-BETA-D-GLUCOPYRANOSYL-3-BETA,6-ALPHA,16-BETA,(24S),25-PENTAHYDROXYCYCLOARTANE](/api/spectrum/7ZPhwv6vTwp/structure.png?h=300&w=458 "#3;TROJANOSIDE-C;3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL]-24-O-BETA-D-GLUCOPYRANOSYL-3-BETA,6-ALPHA,16-BETA,(24S),25-PENTAHYDROXYCYCLOARTANE")
| SpectraBase Compound ID | 2kK4V9zsqac |
|---|---|
| InChI | InChI=1S/C47H80O18/c1-20(9-10-28(43(5,6)59)64-40-36(58)34(56)32(54)25(17-48)62-40)29-23(50)16-45(8)26-15-22(49)38-42(3,4)27(11-12-47(38)19-46(26,47)14-13-44(29,45)7)63-41-37(31(53)24(51)18-60-41)65-39-35(57)33(55)30(52)21(2)61-39/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 | SHIGTQDQPXBPIW-UKBZDTRDSA-N |
| Mol Weight | 933.1 g/mol |
| Molecular Formula | C47H80O18 |
| Exact Mass | 932.534466 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ZPhwv6vTwp |
|---|---|
| Name | #3;TROJANOSIDE-C;3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL]-24-O-BETA-D-GLUCOPYRANOSYL-3-BETA,6-ALPHA,16-BETA,(24S),25-PENTAHYDROXYCYCLOARTANE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H80O18 |
| InChI | InChI=1S/C47H80O18/c1-20(9-10-28(43(5,6)59)64-40-36(58)34(56)32(54)25(17-48)62-40)29-23(50)16-45(8)26-15-22(49)38-42(3,4)27(11-12-47(38)19-46(26,47)14-13-44(29,45)7)63-41-37(31(53)24(51)18-60-41)65-39-35(57)33(55)30(52)21(2)61-39/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 | SHIGTQDQPXBPIW-UKBZDTRDSA-N |
| Literature Reference Author | E.BEDIR,I.CALIS,R.AQUINO,S.PIACENTE,C.PIZZA |
| Literature Reference Citation | J.NAT.PROD.,62,563(1999) |
| Literature Reference DOI | 10.1021/np980399t |
| Molecular Weight | 933.141 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCP8714 |