![ACUTANGULOSIDE-C;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-21-O-BENZOYL-BARRINGTOGENOL-C](/api/spectrum/2wSNzvJAzI/structure.png?h=300&w=458 "ACUTANGULOSIDE-C;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-21-O-BENZOYL-BARRINGTOGENOL-C")
| SpectraBase Compound ID | 8w0X4Js9rap |
|---|---|
| InChI | InChI=1S/C54H80O21/c1-49(2)19-26-25-13-14-30-51(5)17-16-32(50(3,4)29(51)15-18-52(30,6)53(25,7)20-31(58)54(26,23-56)42(65)43(49)75-45(68)24-11-9-8-10-12-24)71-48-41(74-47-37(63)35(61)34(60)28(21-55)70-47)39(38(64)40(73-48)44(66)67)72-46-36(62)33(59)27(57)22-69-46/h8-13,26-43,46-48,55-65H,14-23H2,1-7H3,(H,66,67)/t26-,27-,28+,29-,30?,31+,32-,33+,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,46+,47-,48-,51-,52+,53+,54-/m0/s1 |
| InChIKey | BVLILAASBFCECD-MZYDHQHJSA-N |
| Mol Weight | 1065.2 g/mol |
| Molecular Formula | C54H80O21 |
| Exact Mass | 1064.51921 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2wSNzvJAzI |
|---|---|
| Name | ACUTANGULOSIDE-C;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-21-O-BENZOYL-BARRINGTOGENOL-C |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H80O21 |
| InChI | InChI=1S/C54H80O21/c1-49(2)19-26-25-13-14-30-51(5)17-16-32(50(3,4)29(51)15-18-52(30,6)53(25,7)20-31(58)54(26,23-56)42(65)43(49)75-45(68)24-11-9-8-10-12-24)71-48-41(74-47-37(63)35(61)34(60)28(21-55)70-47)39(38(64)40(73-48)44(66)67)72-46-36(62)33(59)27(57)22-69-46/h8-13,26-43,46-48,55-65H,14-23H2,1-7H3,(H,66,67)/t26-,27-,28+,29-,30?,31+,32-,33+,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,46+,47-,48-,51-,52+,53+,54-/m0/s1 |
| InChIKey | BVLILAASBFCECD-MZYDHQHJSA-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 | 1065.217 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ9332 |