![#2;(20S,22Z,25-XI)-26-[(BETA-D-GLUCOPYRANOSYL)-OXY]-20-HYDROXY-FUROSTA-5,22-DIEN-3-BETA-YL-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-](/api/spectrum/HmnZmyrUyKb/structure.png?h=300&w=458 "#2;(20S,22Z,25-XI)-26-[(BETA-D-GLUCOPYRANOSYL)-OXY]-20-HYDROXY-FUROSTA-5,22-DIEN-3-BETA-YL-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-")
| SpectraBase Compound ID | 9pSDS0pfMVF |
|---|---|
| InChI | InChI=1S/C51H82O22/c1-20(19-65-45-39(61)38(60)34(56)29(17-52)70-45)7-10-31-51(6,64)44-28(69-31)16-27-25-9-8-23-15-24(11-13-49(23,4)26(25)12-14-50(27,44)5)68-48-43(73-47-41(63)37(59)33(55)22(3)67-47)42(35(57)30(18-53)71-48)72-46-40(62)36(58)32(54)21(2)66-46/h8,10,20-22,24-30,32-48,52-64H,7,9,11-19H2,1-6H3/b31-10-/t20?,21-,22+,24-,25+,26-,27-,28-,29+,30+,32-,33+,34+,35+,36+,37-,38-,39+,40+,41-,42-,43+,44-,45+,46-,47+,48+,49-,50-,51+/m0/s1 |
| InChIKey | OQYCWQCZAIILOP-MRXDYQNKSA-N |
| Mol Weight | 1047.2 g/mol |
| Molecular Formula | C51H82O22 |
| Exact Mass | 1046.529774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HmnZmyrUyKb |
|---|---|
| Name | #2;(20S,22Z,25-XI)-26-[(BETA-D-GLUCOPYRANOSYL)-OXY]-20-HYDROXY-FUROSTA-5,22-DIEN-3-BETA-YL-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)]- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H82O22 |
| InChI | InChI=1S/C51H82O22/c1-20(19-65-45-39(61)38(60)34(56)29(17-52)70-45)7-10-31-51(6,64)44-28(69-31)16-27-25-9-8-23-15-24(11-13-49(23,4)26(25)12-14-50(27,44)5)68-48-43(73-47-41(63)37(59)33(55)22(3)67-47)42(35(57)30(18-53)71-48)72-46-40(62)36(58)32(54)21(2)66-46/h8,10,20-22,24-30,32-48,52-64H,7,9,11-19H2,1-6H3/b31-10-/t20?,21-,22+,24-,25+,26-,27-,28-,29+,30+,32-,33+,34+,35+,36+,37-,38-,39+,40+,41-,42-,43+,44-,45+,46-,47+,48+,49-,50-,51+/m0/s1 |
| InChIKey | OQYCWQCZAIILOP-MRXDYQNKSA-N |
| Literature Reference Author | A.YOKOSUKA,Y.MIMAKI |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,273(2007) |
| Literature Reference DOI | 10.1248/cpb.55.273 |
| Molecular Weight | 1047.199 g/mol |
| Sample ID | 55426 |
| Solvent | C5D5N |