![ACUTANGULOSIDE-F;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-21,22-O-TIGLOYL-BARRINGTOGENOL-C](/api/spectrum/2YyjuHg0JeS/structure.png?h=300&w=458 "ACUTANGULOSIDE-F;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-21,22-O-TIGLOYL-BARRINGTOGENOL-C")
| SpectraBase Compound ID | K13idXb6t8o |
|---|---|
| InChI | InChI=1S/C57H88O22/c1-12-25(3)47(70)78-44-45(79-48(71)26(4)13-2)57(24-59)28(20-52(44,5)6)27-14-15-32-54(9)18-17-34(53(7,8)31(54)16-19-55(32,10)56(27,11)21-33(57)61)74-51-43(77-50-39(66)37(64)36(63)30(22-58)73-50)41(40(67)42(76-51)46(68)69)75-49-38(65)35(62)29(60)23-72-49/h12-14,28-45,49-51,58-67H,15-24H2,1-11H3,(H,68,69)/b25-12-,26-13-/t28-,29-,30+,31-,32?,33+,34-,35+,36-,37-,38-,39+,40+,41+,42+,43-,44-,45-,49+,50-,51-,54-,55+,56+,57-/m0/s1 |
| InChIKey | CDOFTMJJVGGBTD-KJNQJTBVSA-N |
| Mol Weight | 1125.3 g/mol |
| Molecular Formula | C57H88O22 |
| Exact Mass | 1124.576724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2YyjuHg0JeS |
|---|---|
| Name | ACUTANGULOSIDE-F;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-21,22-O-TIGLOYL-BARRINGTOGENOL-C |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H88O22 |
| InChI | InChI=1S/C57H88O22/c1-12-25(3)47(70)78-44-45(79-48(71)26(4)13-2)57(24-59)28(20-52(44,5)6)27-14-15-32-54(9)18-17-34(53(7,8)31(54)16-19-55(32,10)56(27,11)21-33(57)61)74-51-43(77-50-39(66)37(64)36(63)30(22-58)73-50)41(40(67)42(76-51)46(68)69)75-49-38(65)35(62)29(60)23-72-49/h12-14,28-45,49-51,58-67H,15-24H2,1-11H3,(H,68,69)/b25-12-,26-13-/t28-,29-,30+,31-,32?,33+,34-,35+,36-,37-,38-,39+,40+,41+,42+,43-,44-,45-,49+,50-,51-,54-,55+,56+,57-/m0/s1 |
| InChIKey | CDOFTMJJVGGBTD-KJNQJTBVSA-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 | 1125.313 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ9337 |