![SYMPLOCOSOSIDE-C;#3;3-BETA-O-[[BETA-D-GLUCOPYRANOSYL-1->2)]-[ALPHA-L-ARABINOFURANOSYL-(1->4)]-BETA-D-GLUCURONOPYRANOSIDE_BUTYLESTER]-21-BETA-O-[(2Z)-3](/api/spectrum/7WQWOOhHcMv/structure.png?h=300&w=458 "SYMPLOCOSOSIDE-C;#3;3-BETA-O-[[BETA-D-GLUCOPYRANOSYL-1->2)]-[ALPHA-L-ARABINOFURANOSYL-(1->4)]-BETA-D-GLUCURONOPYRANOSIDE_BUTYLESTER]-21-BETA-O-[(2Z)-3")
| SpectraBase Compound ID | CW9CNAXrmO5 |
|---|---|
| InChI | InChI=1S/C66H106O23/c1-14-16-26-81-57(80)51-49(86-58-46(74)44(72)38(30-68)83-58)48(76)50(87-59-47(75)45(73)43(71)37(29-67)82-59)60(88-51)84-41-23-24-63(11)39(62(41,9)10)22-25-64(12)40(63)21-20-35-36-28-61(7,8)54(85-42(70)27-33(5)19-17-18-32(3)4)55(89-56(79)34(6)15-2)66(36,31-69)53(78)52(77)65(35,64)13/h18,20,27,34,36-41,43-55,58-60,67-69,71-78H,14-17,19,21-26,28-31H2,1-13H3/b33-27-/t34?,36-,37+,38+,39?,40+,41-,43+,44+,45-,46-,47+,48-,49-,50+,51-,52-,53+,54-,55-,58+,59-,60+,63-,64+,65-,66-/m0/s1 |
| InChIKey | NRJDYTBXPQINHA-DWBIQRRWSA-N |
| Mol Weight | 1267.6 g/mol |
| Molecular Formula | C66H106O23 |
| Exact Mass | 1266.71249 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 | 7WQWOOhHcMv |
|---|---|
| Name | SYMPLOCOSOSIDE-C;#3;3-BETA-O-[[BETA-D-GLUCOPYRANOSYL-1->2)]-[ALPHA-L-ARABINOFURANOSYL-(1->4)]-BETA-D-GLUCURONOPYRANOSIDE_BUTYLESTER]-21-BETA-O-[(2Z)-3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H106O23 |
| InChI | InChI=1S/C66H106O23/c1-14-16-26-81-57(80)51-49(86-58-46(74)44(72)38(30-68)83-58)48(76)50(87-59-47(75)45(73)43(71)37(29-67)82-59)60(88-51)84-41-23-24-63(11)39(62(41,9)10)22-25-64(12)40(63)21-20-35-36-28-61(7,8)54(85-42(70)27-33(5)19-17-18-32(3)4)55(89-56(79)34(6)15-2)66(36,31-69)53(78)52(77)65(35,64)13/h18,20,27,34,36-41,43-55,58-60,67-69,71-78H,14-17,19,21-26,28-31H2,1-13H3/b33-27-/t34?,36-,37+,38+,39?,40+,41-,43+,44+,45-,46-,47+,48-,49-,50+,51-,52-,53+,54-,55-,58+,59-,60+,63-,64+,65-,66-/m0/s1 |
| InChIKey | NRJDYTBXPQINHA-DWBIQRRWSA-N |
| Literature Reference Author | M.TANG,D.SHEN,Y.HU,S.GAO,S.YU |
| Literature Reference Citation | J.NAT.PROD.,67,1969(2004) |
| Literature Reference DOI | 10.1021/np040013g |
| Molecular Weight | 1267.554 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ10410 |