![SPIROSTA-5,25(27)-DIENE-1-BETA,3-BETA-DIOL-1-O-[O-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSIDE]](/api/spectrum/AeruT9cmfAz/structure.png?h=300&w=458 "SPIROSTA-5,25(27)-DIENE-1-BETA,3-BETA-DIOL-1-O-[O-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSIDE]")
| SpectraBase Compound ID | HsKoSJ5xfFt |
|---|---|
| InChI | InChI=1S/C44H68O17/c1-18-8-11-44(55-16-18)19(2)30-27(61-44)14-25-23-7-6-21-12-22(46)13-29(43(21,5)24(23)9-10-42(25,30)4)58-41-38(32(49)26(47)17-54-41)60-40-36(53)37(31(48)20(3)56-40)59-39-35(52)34(51)33(50)28(15-45)57-39/h6,19-20,22-41,45-53H,1,7-17H2,2-5H3/t19-,20+,22+,23+,24-,25-,26+,27-,28-,29+,30-,31+,32+,33-,34+,35-,36-,37-,38-,39+,40+,41+,42-,43-,44+/m0/s1 |
| InChIKey | KEBKEYDWZYNHHS-BNYDDWLCSA-N |
| Mol Weight | 869.0 g/mol |
| Molecular Formula | C44H68O17 |
| Exact Mass | 868.445651 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AeruT9cmfAz |
|---|---|
| Name | SPIROSTA-5,25(27)-DIENE-1-BETA,3-BETA-DIOL-1-O-[O-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSIDE] |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H68O17 |
| InChI | InChI=1S/C44H68O17/c1-18-8-11-44(55-16-18)19(2)30-27(61-44)14-25-23-7-6-21-12-22(46)13-29(43(21,5)24(23)9-10-42(25,30)4)58-41-38(32(49)26(47)17-54-41)60-40-36(53)37(31(48)20(3)56-40)59-39-35(52)34(51)33(50)28(15-45)57-39/h6,19-20,22-41,45-53H,1,7-17H2,2-5H3/t19-,20+,22+,23+,24-,25-,26+,27-,28-,29+,30-,31+,32+,33-,34+,35-,36-,37-,38-,39+,40+,41+,42-,43-,44+/m0/s1 |
| InChIKey | KEBKEYDWZYNHHS-BNYDDWLCSA-N |
| Literature Reference Author | Y.MIMAKI,M.KURODA,A.KAMEYAMA,A.YOKOSUKA,Y.SASHIDA |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,298(1998) |
| Literature Reference DOI | 10.1248/cpb.46.298 |
| Molecular Weight | 869.014 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS6224 |