| SpectraBase Compound ID | IdpEN6ovNcy |
|---|---|
| InChI | InChI=1S/C52H78O25/c1-20-14-70-52(43(63)35(20)59)29(15-66-22(3)54)34-32(77-52)13-28-26-8-7-24-11-25(56)12-33(50(24,6)27(26)9-10-49(28,34)5)73-47-42(40(31(58)17-68-47)74-45-37(61)36(60)30(57)16-67-45)76-46-38(62)41(39(21(2)71-46)72-23(4)55)75-48-44(64)51(65,18-53)19-69-48/h7,21,25-48,53,56-65H,1,8-19H2,2-6H3/t21-,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+,51+,52+/m1/s1 |
| InChIKey | CBIQGHYKUKDTIF-RWNIJIMFSA-N |
| Mol Weight | 1103.2 g/mol |
| Molecular Formula | C52H78O25 |
| Exact Mass | 1102.483218 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4awCP1MHvjb |
|---|---|
| Name | (23S,24S)-21-ACETOXY-3-BETA,23,24-TRIHYDROXYSPIROSTA-5,25(27)-DIEN-1-BETA-YL-O-BETA-D-APIOFURANOSYL-(1->3)-O-(4-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL)-( |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H78O25 |
| InChI | InChI=1S/C52H78O25/c1-20-14-70-52(43(63)35(20)59)29(15-66-22(3)54)34-32(77-52)13-28-26-8-7-24-11-25(56)12-33(50(24,6)27(26)9-10-49(28,34)5)73-47-42(40(31(58)17-68-47)74-45-37(61)36(60)30(57)16-67-45)76-46-38(62)41(39(21(2)71-46)72-23(4)55)75-48-44(64)51(65,18-53)19-69-48/h7,21,25-48,53,56-65H,1,8-19H2,2-6H3/t21-,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+,51+,52+/m1/s1 |
| InChIKey | CBIQGHYKUKDTIF-RWNIJIMFSA-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 | 1103.176 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI4503 |