![ACUTANGULOSIDE-D;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-21,22-O-DIBENZOYL-BARRINGTOGENOL_C](/api/spectrum/4K7SyNKFbuV/structure.png?h=300&w=458 "ACUTANGULOSIDE-D;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-21,22-O-DIBENZOYL-BARRINGTOGENOL_C")
| SpectraBase Compound ID | 20TdfihbYLI |
|---|---|
| InChI | InChI=1S/C61H84O22/c1-56(2)24-32-31-18-19-36-58(5)22-21-38(78-55-47(81-54-43(70)41(68)40(67)34(26-62)77-54)45(44(71)46(80-55)50(72)73)79-53-42(69)39(66)33(64)27-76-53)57(3,4)35(58)20-23-59(36,6)60(31,7)25-37(65)61(32,28-63)49(83-52(75)30-16-12-9-13-17-30)48(56)82-51(74)29-14-10-8-11-15-29/h8-18,32-49,53-55,62-71H,19-28H2,1-7H3,(H,72,73)/t32-,33-,34+,35-,36?,37+,38-,39+,40-,41-,42-,43+,44+,45+,46+,47-,48-,49-,53+,54-,55-,58-,59+,60+,61-/m0/s1 |
| InChIKey | PQSYDERHCQJURP-VHVVWPDYSA-N |
| Mol Weight | 1169.3 g/mol |
| Molecular Formula | C61H84O22 |
| Exact Mass | 1168.545424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4K7SyNKFbuV |
|---|---|
| Name | ACUTANGULOSIDE-D;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-21,22-O-DIBENZOYL-BARRINGTOGENOL_C |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H84O22 |
| InChI | InChI=1S/C61H84O22/c1-56(2)24-32-31-18-19-36-58(5)22-21-38(78-55-47(81-54-43(70)41(68)40(67)34(26-62)77-54)45(44(71)46(80-55)50(72)73)79-53-42(69)39(66)33(64)27-76-53)57(3,4)35(58)20-23-59(36,6)60(31,7)25-37(65)61(32,28-63)49(83-52(75)30-16-12-9-13-17-30)48(56)82-51(74)29-14-10-8-11-15-29/h8-18,32-49,53-55,62-71H,19-28H2,1-7H3,(H,72,73)/t32-,33-,34+,35-,36?,37+,38-,39+,40-,41-,42-,43+,44+,45+,46+,47-,48-,49-,53+,54-,55-,58-,59+,60+,61-/m0/s1 |
| InChIKey | PQSYDERHCQJURP-VHVVWPDYSA-N |
| Literature Reference Author | C.MILLS,A.R.CARROLL,R.J.QUINN |
| Literature Reference Citation | J.NAT.PROD.,68,311(2005) |
| Literature Reference DOI | 10.1021/np049741u |
| Molecular Weight | 1169.325 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ9333 |