![NEOCHLOROGENIN-6-O-[BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-QUINOVOPYRANOSIDE];(25S)-5-ALPHA-SPIROSTAN-3-BETA-OL-6-ALPHA-O-[BETA-D-XYLOPYRANOSYL-(1->3)](/api/spectrum/2vn9muyfLBY/structure.png?h=300&w=458 "NEOCHLOROGENIN-6-O-[BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-QUINOVOPYRANOSIDE];(25S)-5-ALPHA-SPIROSTAN-3-BETA-OL-6-ALPHA-O-[BETA-D-XYLOPYRANOSYL-(1->3)")
| SpectraBase Compound ID | LLizqBI7uUo |
|---|---|
| InChI | InChI=1S/C38H62O12/c1-17-6-11-38(46-15-17)18(2)28-27(50-38)14-23-21-13-26(24-12-20(39)7-9-36(24,4)22(21)8-10-37(23,28)5)48-35-32(44)33(29(41)19(3)47-35)49-34-31(43)30(42)25(40)16-45-34/h17-35,39-44H,6-16H2,1-5H3/t17-,18+,19+,20+,21?,22?,23?,24-,25+,26+,27?,28?,29+,30-,31+,32+,33-,34-,35-,36-,37+,38-/m1/s1 |
| InChIKey | SZRYARBVBSFVQW-JDGLFYJSSA-N |
| Mol Weight | 710.9 g/mol |
| Molecular Formula | C38H62O12 |
| Exact Mass | 710.424127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2vn9muyfLBY |
|---|---|
| Name | NEOCHLOROGENIN-6-O-[BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-QUINOVOPYRANOSIDE];(25S)-5-ALPHA-SPIROSTAN-3-BETA-OL-6-ALPHA-O-[BETA-D-XYLOPYRANOSYL-(1->3) |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H62O12 |
| InChI | InChI=1S/C38H62O12/c1-17-6-11-38(46-15-17)18(2)28-27(50-38)14-23-21-13-26(24-12-20(39)7-9-36(24,4)22(21)8-10-37(23,28)5)48-35-32(44)33(29(41)19(3)47-35)49-34-31(43)30(42)25(40)16-45-34/h17-35,39-44H,6-16H2,1-5H3/t17-,18+,19+,20+,21?,22?,23?,24-,25+,26+,27?,28?,29+,30-,31+,32+,33-,34-,35-,36-,37+,38-/m1/s1 |
| InChIKey | SZRYARBVBSFVQW-JDGLFYJSSA-N |
| Literature Reference Author | S.YAHARA,T.YAMASHITA,N.NOZAWA,T.NOHARA |
| Literature Reference Citation | PHYTOCHEM.,43,1069(1996) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00396-2 |
| Molecular Weight | 710.903 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS2305 |