| SpectraBase Compound ID | 2JW42Okmtfr |
|---|---|
| InChI | InChI=1S/C41H62O11/c1-21(2)22(3)11-12-25(36(48)52-37-35(47)34(46)33(45)29(51-37)20-49-23(4)42)32-28(50-24(5)43)19-41(10)27-13-14-30-38(6,7)31(44)16-17-39(30,8)26(27)15-18-40(32,41)9/h21,25,28-30,32-35,37,45-47H,3,11-20H2,1-2,4-10H3/t25-,28+,29+,30-,32-,33+,34-,35+,37-,39+,40+,41-/m0/s1 |
| InChIKey | RUAKGNYESYUQPT-YVCQURLKSA-N |
| Mol Weight | 730.9 g/mol |
| Molecular Formula | C41H62O11 |
| Exact Mass | 730.429213 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8YsAABaq4ff |
|---|---|
| Name | DAEDALEASIDE_E;16-ALPHA-ACETOXY-24-METHYLENE-3-OXOLANOSTA-8-EN-21-OIC_ACID_21-O-6-O-ACETYL-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H62O11 |
| InChI | InChI=1S/C41H62O11/c1-21(2)22(3)11-12-25(36(48)52-37-35(47)34(46)33(45)29(51-37)20-49-23(4)42)32-28(50-24(5)43)19-41(10)27-13-14-30-38(6,7)31(44)16-17-39(30,8)26(27)15-18-40(32,41)9/h21,25,28-30,32-35,37,45-47H,3,11-20H2,1-2,4-10H3/t25-,28+,29+,30-,32-,33+,34-,35+,37-,39+,40+,41-/m0/s1 |
| InChIKey | RUAKGNYESYUQPT-YVCQURLKSA-N |
| Literature Reference Author | K.YOSHIKAWA,K.KOUSO,J.TAKAHASHI,A.MATSUDA,M.OKAZOE,A.UMEYAMA ,S.ARIHARA |
| Literature Reference Citation | J.NAT.PROD.,68,911(2005) |
| Literature Reference DOI | 10.1021/np058024c |
| Molecular Weight | 730.937 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ11620 |