SpectraBase Compound ID | 62ilp8gx2LS |
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InChI | InChI=1S/C27H38O7/c1-15(28)33-19-7-9-25(3)18(12-19)5-6-21-20(25)8-10-26(4)24(17-11-23(30)32-14-17)22(34-16(2)29)13-27(21,26)31/h11,18-22,24,31H,5-10,12-14H2,1-4H3/t18-,19+,20+,21-,22+,24+,25+,26-,27+/m1/s1 |
InChIKey | ANNNOIZFDGPVNC-ICIBFRGGSA-N |
Mol Weight | 474.6 g/mol |
Molecular Formula | C27H38O7 |
Exact Mass | 474.261754 g/mol |
SpectraBase Spectrum ID | 9XR0YSP2qSL |
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Name | Gitoxigenin 3,16-diacetate |
Source of Sample | Sigma-Aldrich Co. LLC. |
Catalog Number | 300934 |
CAS Registry Number | 5996-03-2 |
Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C27H38O7 |
InChI | InChI=1S/C27H38O7/c1-15(28)33-19-7-9-25(3)18(12-19)5-6-21-20(25)8-10-26(4)24(17-11-23(30)32-14-17)22(34-16(2)29)13-27(21,26)31/h11,18-22,24,31H,5-10,12-14H2,1-4H3/t18-,19+,20+,21-,22+,24+,25+,26-,27+/m1/s1 |
InChIKey | ANNNOIZFDGPVNC-ICIBFRGGSA-N |
Observed nucleus | 13C |
Solvent | CDCl3 |
Source of Spectrum | Sigma-Aldrich Co. LLC. |
Synonyms | Gitoxingenin acetate Diacetylgitoxigenin |
Wiley ID | SIAL_13CNMR_005864 |