| SpectraBase Compound ID | 7yU8PCMSv6a |
|---|---|
| InChI | InChI=1S/C33H48O9/c1-16-8-9-33(38-15-16)17(2)30-26(42-33)13-23-29-24(14-27(37)32(23,30)7)31(6)21(11-25(29)40-19(4)35)10-22(39-18(3)34)12-28(31)41-20(5)36/h16-17,21-26,28-30H,8-15H2,1-7H3/t16-,17+,21-,22-,23+,24+,25+,26+,28-,29+,30+,31+,32-,33+/m1/s1 |
| InChIKey | KBUWSVWKFGWAGY-SJZLEXDMSA-N |
| Mol Weight | 588.7 g/mol |
| Molecular Formula | C33H48O9 |
| Exact Mass | 588.329833 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EJiD4Btlv4a |
|---|---|
| Name | (25R)-1-BETA,3-BETA,7-BETA-TRIACETOXY-5-ALPHA-SPIROSTAN-12-ONE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H48O9 |
| InChI | InChI=1S/C33H48O9/c1-16-8-9-33(38-15-16)17(2)30-26(42-33)13-23-29-24(14-27(37)32(23,30)7)31(6)21(11-25(29)40-19(4)35)10-22(39-18(3)34)12-28(31)41-20(5)36/h16-17,21-26,28-30H,8-15H2,1-7H3/t16-,17+,21-,22-,23+,24+,25+,26+,28-,29+,30+,31+,32-,33+/m1/s1 |
| InChIKey | KBUWSVWKFGWAGY-SJZLEXDMSA-N |
| Literature Reference Author | G.BLUNDEN,A.V.PATEL,T.A.CRABB |
| Literature Reference Citation | PHYTOCHEM.,29,1771(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85013-6 |
| Molecular Weight | 588.739 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU32149 |