| SpectraBase Spectrum ID |
CNYipdYhDwM |
| Name |
12-OXOURSAN-3-YL ACETATE |
| CAS Registry Number |
55887-96-2 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
484.391645531 u |
| Formula |
C32H52O3 |
| InChI |
InChI=1S/C32H52O3/c1-19-10-13-29(6)16-17-32(9)27(26(29)20(19)2)22(34)18-24-30(7)14-12-25(35-21(3)33)28(4,5)23(30)11-15-31(24,32)8/h19-20,23-27H,10-18H2,1-9H3/t19-,20+,23?,24?,25?,26+,27-,29-,30+,31-,32-/m1/s1 |
| InChIKey |
UFMIHPLWOVWPHJ-XJRBQQFESA-N |
| Molecular Weight |
484.765 g/mol |
| Nominal Mass |
484 u |
| Number of Peaks |
417 |
| SMILES |
C(C)(=O)OC1CC[C@@]2(C3CC([C@@]4([C@@]5([C@]([C@@](CC[C@@]5(CC[C@]4([C@@]3(CCC2C1(C)C)C)C)C)(C)[H])(C)[H])[H])[H])=O)C |
| SPLASH |
splash10-05tb-5930100000-400872068812c83e680e |
| Source File Reference |
LMCM-22558-304S |
| Source of Spectrum |
Prof. J. Seibl; ETH Zurich, Switzerland |
| Synonyms |
(6aR,6bR,8aR,11R,12S,12aS,12bR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-13-oxo-docosahydropicen-3-yl acetate
ACETIC ACID 4,4,6A,6B,8A,11,12,14B-OCTAMETHYL-13-OXO-DOCOSAHYDRO-PICEN-3-YL ESTER |
| Wiley ID |
8_13889 |
