| SpectraBase Spectrum ID |
JSu558IB1F5 |
| Name |
9,19-CYCLOCHOLAN-24-AL, 3-(ACETYLOXY)-4,4,14-TRIMETHYL-, (3.BETA.,5.ALPHA.)- |
| CAS Registry Number |
25089-90-1 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
442.344695338 u |
| Formula |
C29H46O3 |
| InChI |
InChI=1S/C29H46O3/c1-19(8-7-17-30)21-11-13-27(6)23-10-9-22-25(3,4)24(32-20(2)31)12-14-28(22)18-29(23,28)16-15-26(21,27)5/h17,19,21-24H,7-16,18H2,1-6H3/t19-,21-,22+,23+,24+,26-,27?,28-,29?/m1/s1 |
| InChIKey |
YJLQMFGPTAIORM-UETRYLFXSA-N |
| Molecular Weight |
442.684 g/mol |
| Nominal Mass |
442 u |
| Number of Peaks |
246 |
| SMILES |
[C@]1(CC[C@@]23C4(CC[C@@]5([C@](CCC5([C@@]4(CC[C@]3(C1(C)C)[H])[H])C)([C@@](CCC=O)(C)[H])[H])C)C2)(OC(=O)C)[H] |
| SPLASH |
splash10-052f-7921000000-f5648387928bb9c15c50 |
| Source File Reference |
LMCM-40813-546N |
| Source of Spectrum |
Prof. J. Seibl; ETH Zurich, Switzerland |
| Synonyms |
3.BETA.-ACETOXY-4,4,14-TRIMETHYL-5.ALPHA.-9,19-DIMETHYL-CHOLAN-24-AL
3A,6,6,12A-TETRAMETHYL-1-(1-METHYL-4-OXOBUTYL)TETRADECAHYDRO-1H-CYCLOPENTA[A]CYCLOPROPA[E]PHENANTHREN-7-YL ACETATE
(3R,6S,8R,11S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-5-oxopentan-2-yl]pentacyclo[9.7.0.0(1,3).0(3,8).0(12,16)]octadecan-6-yl acetate |
| Wiley ID |
8_20522 |
