| SpectraBase Spectrum ID |
5Sh3LLdxGxH |
| Name |
20-ECD 2,3:20,22-diacetonide |
| Alternate Name(s) |
(1S,3aS,10aR,12aR)-3a-hydroxy-1-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-8,8,10a,12a-tetramethyl-1,2,3,3a,5a,6,6a,9a,10,10a,10b,11,12,12a-tetradecahydro-5H-cyclopenta[7,8]phenanthro[2,3-d][1,3]dioxol-5-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H52O7 |
| InChI |
InChI=1S/C33H52O7/c1-27(2,35)13-12-26-32(9,40-29(5,6)39-26)25-11-15-33(36)20-16-22(34)21-17-23-24(38-28(3,4)37-23)18-30(21,7)19(20)10-14-31(25,33)8/h16,19,21,23-26,35-36H,10-15,17-18H2,1-9H3/t19?,21?,23?,24?,25-,26+,30+,31+,32+,33+/m0/s1 |
| InChIKey |
WXFMGCVRGSIXOB-VMJLMROPSA-N |
| Molecular Weight |
560.772 g/mol |
| SMILES |
OC(CC[C@]1(OC(O[C@@]1([C@@]1([C@]2(CCC3C([C@@]2(CC1)O)=CC(C1CC2OC(OC2C[C@]31C)(C)C)=O)C)[H])C)(C)C)[H])(C)C |
| SPLASH |
splash10-004l-0900220000-57df9e10a653c50e5ea2 |
| Source of Spectrum |
F-51-10644-12 |
| Wiley ID |
793735 |
