![ACUTANGULOSIDE-E-METHYLESTER;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-METHYLGLUCURONOPYRANOSYL-21-O-BENZOYL-22-O-](/api/spectrum/AWJQXAMEQTW/structure.png?h=300&w=458 "ACUTANGULOSIDE-E-METHYLESTER;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-METHYLGLUCURONOPYRANOSYL-21-O-BENZOYL-22-O-")
| SpectraBase Compound ID | L0Xhw4pKhii |
|---|---|
| InChI | InChI=1S/C60H88O22/c1-11-28(2)49(71)82-48-47(81-50(72)29-15-13-12-14-16-29)55(3,4)23-31-30-17-18-35-57(7)21-20-37(56(5,6)34(57)19-22-58(35,8)59(30,9)24-36(64)60(31,48)27-62)77-54-46(80-53-42(69)40(67)39(66)33(25-61)76-53)44(43(70)45(79-54)51(73)74-10)78-52-41(68)38(65)32(63)26-75-52/h11-17,31-48,52-54,61-70H,18-27H2,1-10H3/b28-11-/t31-,32-,33+,34-,35?,36+,37-,38+,39-,40-,41-,42+,43+,44+,45+,46-,47-,48-,52+,53-,54-,57-,58+,59+,60-/m0/s1 |
| InChIKey | LAINZEBBVSDNRB-BEESROERSA-N |
| Mol Weight | 1161.3 g/mol |
| Molecular Formula | C60H88O22 |
| Exact Mass | 1160.576724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AWJQXAMEQTW |
|---|---|
| Name | ACUTANGULOSIDE-E-METHYLESTER;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-METHYLGLUCURONOPYRANOSYL-21-O-BENZOYL-22-O- |
| Compound Number | 6A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H88O22 |
| InChI | InChI=1S/C60H88O22/c1-11-28(2)49(71)82-48-47(81-50(72)29-15-13-12-14-16-29)55(3,4)23-31-30-17-18-35-57(7)21-20-37(56(5,6)34(57)19-22-58(35,8)59(30,9)24-36(64)60(31,48)27-62)77-54-46(80-53-42(69)40(67)39(66)33(25-61)76-53)44(43(70)45(79-54)51(73)74-10)78-52-41(68)38(65)32(63)26-75-52/h11-17,31-48,52-54,61-70H,18-27H2,1-10H3/b28-11-/t31-,32-,33+,34-,35?,36+,37-,38+,39-,40-,41-,42+,43+,44+,45+,46-,47-,48-,52+,53-,54-,57-,58+,59+,60-/m0/s1 |
| InChIKey | LAINZEBBVSDNRB-BEESROERSA-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 | 1161.346 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ9336 |