| SpectraBase Compound ID | EWo4s0t8Ddx |
|---|---|
| InChI | InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21?,22?,23?,24-,25+,26-,27?,28?,29?,30?,31?,32?,33?,34?,35?,37?,38?,39-,40+,41-,42+/m1/s1 |
| InChIKey | KYWSCMDFVARMPN-XEBOCMHCSA-N |
| Mol Weight | 781.0 g/mol |
| Molecular Formula | C42H68O13 |
| Exact Mass | 780.465992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ux7Sk4t364 |
|---|---|
| Name | Saikosaponin-D |
| CAS Registry Number | 20874-52-6 |
| Comments | STEROIDAL SHIFTS ADDED FROM ACETATE 16 ALPHA-OH |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C42H68O13 |
| InChI | InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21?,22?,23?,24-,25+,26-,27?,28?,29?,30?,31?,32?,33?,34?,35?,37?,38?,39-,40+,41-,42+/m1/s1 |
| InChIKey | KYWSCMDFVARMPN-XEBOCMHCSA-N |
| Instrument Name | Jeol PFT-100 |
| Literature Reference | K. Yamasaki, R. Kasai, Y. Masaki, Tetrahedron Lett. 1231 (1977). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | DMSO-D6 |