| SpectraBase Compound ID | BMy6W2IIaha |
|---|---|
| InChI | InChI=1S/C52H92O31/c1-4-5-11-14-23(15-12-9-7-6-8-10-13-16-28(57)58)74-51-45(36(66)29(59)21(2)73-51)82-52-46(44(33(63)26(19-55)77-52)81-48-39(69)35(65)32(62)25(18-54)76-48)83-50-41(71)43(30(60)22(3)72-50)80-49-40(70)37(67)42(27(20-56)78-49)79-47-38(68)34(64)31(61)24(17-53)75-47/h21-27,29-56,59-71H,4-20H2,1-3H3,(H,57,58)/t21-,22+,23-,24+,25+,26-,27-,29-,30+,31+,32+,33-,34-,35-,36+,37-,38+,39+,40-,41-,42-,43-,44+,45-,46-,47-,48-,49+,50+,51+,52+/m0/s1 |
| InChIKey | DTLZYPWDNWUXIQ-OJQNJJAUSA-N |
| Mol Weight | 1213.3 g/mol |
| Molecular Formula | C52H92O31 |
| Exact Mass | 1212.562256 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5FtktnutZgB |
|---|---|
| Name | #9A;CALYSOLIC-ACID-D;(11S)-JALAPINOLIC-ACID-11-O-BETA-D-GLUCOPYRANOSYL-(1->4)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[O-BETA-D-GLUCOPY |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H92O31 |
| InChI | InChI=1S/C52H92O31/c1-4-5-11-14-23(15-12-9-7-6-8-10-13-16-28(57)58)74-51-45(36(66)29(59)21(2)73-51)82-52-46(44(33(63)26(19-55)77-52)81-48-39(69)35(65)32(62)25(18-54)76-48)83-50-41(71)43(30(60)22(3)72-50)80-49-40(70)37(67)42(27(20-56)78-49)79-47-38(68)34(64)31(61)24(17-53)75-47/h21-27,29-56,59-71H,4-20H2,1-3H3,(H,57,58)/t21-,22+,23-,24+,25+,26-,27-,29-,30+,31+,32+,33-,34-,35-,36+,37-,38+,39+,40-,41-,42-,43-,44+,45-,46-,47-,48-,49+,50+,51+,52+/m0/s1 |
| InChIKey | DTLZYPWDNWUXIQ-OJQNJJAUSA-N |
| Literature Reference Author | A.TAKIGAWA,H.SETOGUCHI,M.OKAWA,J.KINJO,H.MIYASHITA,K.YOKOMIZ O,H.YOSHIMITSU |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,1163(2011) |
| Literature Reference DOI | 10.1248/cpb.59.1163 |
| Molecular Weight | 1213.284 g/mol |
| Source File Reference | UWIR3615 |