![DELTA(5)-PREGNENE-3-BETA,20(S)-DIOL-3-O-[2-O-ACETYL-BETA-D-DIGITALOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE]-20-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCO](/api/spectrum/C7X5bJlNyBG/structure.png?h=300&w=458 "DELTA(5)-PREGNENE-3-BETA,20(S)-DIOL-3-O-[2-O-ACETYL-BETA-D-DIGITALOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE]-20-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCO")
| SpectraBase Compound ID | LlXVp9bbxso |
|---|---|
| InChI | InChI=1S/C56H92O24/c1-23(72-53-50(48(69-10)39(60)24(2)73-53)80-52-45(66)43(64)41(62)36(78-52)22-70-51-44(65)42(63)40(61)35(21-57)77-51)31-13-14-32-30-12-11-28-19-29(15-17-55(28,6)33(30)16-18-56(31,32)7)76-37-20-34(67-8)46(26(4)71-37)79-54-49(75-27(5)58)47(68-9)38(59)25(3)74-54/h11,23-26,29-54,57,59-66H,12-22H2,1-10H3/t23-,24-,25-,26+,29-,30-,31+,32-,33-,34-,35-,36-,37+,38+,39+,40-,41-,42+,43+,44-,45-,46+,47+,48+,49-,50-,51-,52+,53-,54+,55-,56+/m0/s1 |
| InChIKey | NTPFJHABFWFHMU-LRTKAEGOSA-N |
| Mol Weight | 1149.3 g/mol |
| Molecular Formula | C56H92O24 |
| Exact Mass | 1148.597854 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C7X5bJlNyBG |
|---|---|
| Name | DELTA(5)-PREGNENE-3-BETA,20(S)-DIOL-3-O-[2-O-ACETYL-BETA-D-DIGITALOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE]-20-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H92O24 |
| InChI | InChI=1S/C56H92O24/c1-23(72-53-50(48(69-10)39(60)24(2)73-53)80-52-45(66)43(64)41(62)36(78-52)22-70-51-44(65)42(63)40(61)35(21-57)77-51)31-13-14-32-30-12-11-28-19-29(15-17-55(28,6)33(30)16-18-56(31,32)7)76-37-20-34(67-8)46(26(4)71-37)79-54-49(75-27(5)58)47(68-9)38(59)25(3)74-54/h11,23-26,29-54,57,59-66H,12-22H2,1-10H3/t23-,24-,25-,26+,29-,30-,31+,32-,33-,34-,35-,36-,37+,38+,39+,40-,41-,42+,43+,44-,45-,46+,47+,48+,49-,50-,51-,52+,53-,54+,55-,56+/m0/s1 |
| InChIKey | NTPFJHABFWFHMU-LRTKAEGOSA-N |
| Literature Reference Author | H.ITOKAWA,J.XU,K.TAKEYA |
| Literature Reference Citation | PHYTOCHEM.,27,1173(1988) |
| Literature Reference DOI | 10.1016/0031-9422(88)80297-8 |
| Molecular Weight | 1149.332 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK1403 |