| SpectraBase Compound ID | KRxXveTRO8B |
|---|---|
| InChI | InChI=1S/C30H48O7/c1-25(2,34)11-10-24-29(7,37-26(3,4)36-24)23-9-13-30(35)18-14-20(31)19-15-21(32)22(33)16-27(19,5)17(18)8-12-28(23,30)6/h14,17,19,21-24,32-35H,8-13,15-16H2,1-7H3/t17?,19?,21?,22?,23-,24+,27+,28+,29+,30+/m0/s1 |
| InChIKey | GXNNYSDWRVKVJY-TVVTZOLUSA-N |
| Mol Weight | 520.7 g/mol |
| Molecular Formula | C30H48O7 |
| Exact Mass | 520.340004 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CTf0TYk7NBK |
|---|---|
| Name | 20-ECD 20,22-acetonide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O7 |
| InChI | InChI=1S/C30H48O7/c1-25(2,34)11-10-24-29(7,37-26(3,4)36-24)23-9-13-30(35)18-14-20(31)19-15-21(32)22(33)16-27(19,5)17(18)8-12-28(23,30)6/h14,17,19,21-24,32-35H,8-13,15-16H2,1-7H3/t17?,19?,21?,22?,23-,24+,27+,28+,29+,30+/m0/s1 |
| InChIKey | GXNNYSDWRVKVJY-TVVTZOLUSA-N |
| Molecular Weight | 520.707 g/mol |
| SMILES | OC(CC[C@]1(OC(O[C@@]1([C@@]1([C@@]2([C@](C3=CC(C4CC(C(C[C@@]4(C3CC2)C)O)O)=O)(CC1)O)C)[H])C)(C)C)[H])(C)C |
| SPLASH | splash10-004l-0901000000-baf619dab00de05a3d5d |
| Source of Spectrum | F-51-10645-15 |
| Synonyms | (17beta)-2,3,14-trihydroxy-17-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]androst-7-en-6-one |
| Wiley ID | 793734 |