![13-[(2-O-BETA-D-GLUCOPYRANOSYL-3-O-BETA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSYL)-OXY]-ENT-KAUR-15-EN-19-OIC-ACID](/api/spectrum/KZK2JepwrhZ/structure.png?h=300&w=458 "13-[(2-O-BETA-D-GLUCOPYRANOSYL-3-O-BETA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSYL)-OXY]-ENT-KAUR-15-EN-19-OIC-ACID")
| SpectraBase Compound ID | 6aWEaKqDOO9 |
|---|---|
| InChI | InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(49)50)21(37)6-10-38(16,15-37)56-33-30(55-32-28(48)26(46)23(43)18(13-40)52-32)29(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h11,17-33,39-48H,4-10,12-15H2,1-3H3,(H,49,50)/t17-,18+,19-,20+,21+,22-,23+,24-,25+,26-,27-,28+,29+,30-,31+,32-,33+,35-,36-,37-,38+/m1/s1 |
| InChIKey | RTBJWLNMUQXVRN-XSZCLKABSA-N |
| Mol Weight | 804.9 g/mol |
| Molecular Formula | C38H60O18 |
| Exact Mass | 804.377965 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KZK2JepwrhZ |
|---|---|
| Name | 13-[(2-O-BETA-D-GLUCOPYRANOSYL-3-O-BETA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSYL)-OXY]-ENT-KAUR-15-EN-19-OIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H60O18 |
| InChI | InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(49)50)21(37)6-10-38(16,15-37)56-33-30(55-32-28(48)26(46)23(43)18(13-40)52-32)29(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h11,17-33,39-48H,4-10,12-15H2,1-3H3,(H,49,50)/t17-,18+,19-,20+,21+,22-,23+,24-,25+,26-,27-,28+,29+,30-,31+,32-,33+,35-,36-,37-,38+/m1/s1 |
| InChIKey | RTBJWLNMUQXVRN-XSZCLKABSA-N |
| Literature Reference Author | V.S.P.CHATURVEDULA,M.UPRETI,I.PRAKASH |
| Literature Reference Citation | MOLECULES,16,3552(2011) |
| Literature Reference DOI | 10.3390/molecules16053552 |
| Molecular Weight | 804.884 g/mol |
| Sample ID | 116 |
| Solvent | CD3OD |