![DELTA(5)-PREGNENE-3-BETA,16-ALPHA,20(S)-TRIOL-3-O-[2-O-ACETYL-BETA-D-DIGITALOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE]-20-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-](/api/spectrum/1XxFZ2Y8RcH/structure.png?h=300&w=458 "DELTA(5)-PREGNENE-3-BETA,16-ALPHA,20(S)-TRIOL-3-O-[2-O-ACETYL-BETA-D-DIGITALOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE]-20-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-")
| SpectraBase Compound ID | 5SB8tZbKj0p |
|---|---|
| InChI | InChI=1S/C56H92O25/c1-22(73-53-50(48(70-10)39(61)23(2)74-53)81-52-45(67)43(65)41(63)35(79-52)21-71-51-44(66)42(64)40(62)34(20-57)78-51)37-32(59)18-31-29-12-11-27-17-28(13-15-55(27,6)30(29)14-16-56(31,37)7)77-36-19-33(68-8)46(25(4)72-36)80-54-49(76-26(5)58)47(69-9)38(60)24(3)75-54/h11,22-25,28-54,57,59-67H,12-21H2,1-10H3/t22?,23-,24-,25+,28-,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 | JNINMHDUXJEVTJ-OIBKHQIISA-N |
| Mol Weight | 1165.3 g/mol |
| Molecular Formula | C56H92O25 |
| Exact Mass | 1164.592768 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1XxFZ2Y8RcH |
|---|---|
| Name | DELTA(5)-PREGNENE-3-BETA,16-ALPHA,20(S)-TRIOL-3-O-[2-O-ACETYL-BETA-D-DIGITALOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE]-20-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H92O25 |
| InChI | InChI=1S/C56H92O25/c1-22(73-53-50(48(70-10)39(61)23(2)74-53)81-52-45(67)43(65)41(63)35(79-52)21-71-51-44(66)42(64)40(62)34(20-57)78-51)37-32(59)18-31-29-12-11-27-17-28(13-15-55(27,6)30(29)14-16-56(31,37)7)77-36-19-33(68-8)46(25(4)72-36)80-54-49(76-26(5)58)47(69-9)38(60)24(3)75-54/h11,22-25,28-54,57,59-67H,12-21H2,1-10H3/t22?,23-,24-,25+,28-,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 | JNINMHDUXJEVTJ-OIBKHQIISA-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 | 1165.331 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBK1401 |