| SpectraBase Compound ID | 19uo8quKGjF |
|---|---|
| InChI | InChI=1S/C50H76O22/c1-20-11-32(56)50(65-15-20)21(2)34-31(72-50)14-28-26-8-7-24-12-25(53)13-33(48(24,6)27(26)9-10-47(28,34)5)68-45-41(39(30(55)17-63-45)69-43-36(58)35(57)29(54)16-62-43)71-44-37(59)40(38(22(3)66-44)67-23(4)52)70-46-42(60)49(61,18-51)19-64-46/h7,21-22,25-46,51,53-61H,1,8-19H2,2-6H3/t21-,22+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34-,35-,36+,37-,38+,39+,40+,41-,42+,43-,44+,45+,46+,47-,48-,49-,50-/m0/s1 |
| InChIKey | LQVHUXJTFQZCFZ-PMTIDFRGSA-N |
| Mol Weight | 1029.1 g/mol |
| Molecular Formula | C50H76O22 |
| Exact Mass | 1028.482824 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HRjdLc35Bx3 |
|---|---|
| Name | (23S)-3-BETA,23-DIHYDROXYSPIROSTA-5,25(27)-DIEN-1-BETA-YL-O-BETA-D-APIOFURANOSYL-(1->3)-O-(4-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL)-(1->2)-O-[BETA-D-XYL |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H76O22 |
| InChI | InChI=1S/C50H76O22/c1-20-11-32(56)50(65-15-20)21(2)34-31(72-50)14-28-26-8-7-24-12-25(53)13-33(48(24,6)27(26)9-10-47(28,34)5)68-45-41(39(30(55)17-63-45)69-43-36(58)35(57)29(54)16-62-43)71-44-37(59)40(38(22(3)66-44)67-23(4)52)70-46-42(60)49(61,18-51)19-64-46/h7,21-22,25-46,51,53-61H,1,8-19H2,2-6H3/t21-,22+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34-,35-,36+,37-,38+,39+,40+,41-,42+,43-,44+,45+,46+,47-,48-,49-,50-/m0/s1 |
| InChIKey | LQVHUXJTFQZCFZ-PMTIDFRGSA-N |
| Literature Reference Author | K.WATANABE,Y.MIMAKI,H.SAKAGAMI,Y.SASHIDA |
| Literature Reference Citation | J.NAT.PROD.,66,236(2003) |
| Literature Reference DOI | 10.1021/np0203638 |
| Molecular Weight | 1029.140 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI4501 |