| SpectraBase Spectrum ID |
AiPMsLSigD3 |
| Name |
26,27-DI(NOR)-CHOLESTA-5,7-DIEN-24-YNE, 3-ACETOXY- |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
394.287180462 u |
| Formula |
C27H38O2 |
| InChI |
InChI=1S/C27H38O2/c1-6-7-8-18(2)23-11-12-24-22-10-9-20-17-21(29-19(3)28)13-15-26(20,4)25(22)14-16-27(23,24)5/h1,9-10,18,21,23-25H,7-8,11-17H2,2-5H3/t18-,21?,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey |
HMGFAIICGLXNPD-XAHZTGGXSA-N |
| Molecular Weight |
394.599 g/mol |
| Nominal Mass |
394 u |
| Number of Peaks |
317 |
| SMILES |
C1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4(C3=CC=C2C1)[H])([C@@](CCC#C)(C)[H])[H])C)[H])C)OC(=O)C |
| SPLASH |
splash10-0f8a-3944000000-75638fc73ef064f1e03a |
| Source File Reference |
LMCM-27006-988C |
| Source of Spectrum |
Prof. J. Seibl; ETH Zurich, Switzerland |
| Synonyms |
(1S,2R,11R,14R,15R)-14-[(2R)-hex-5-yn-2-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-7,9-dien-5-yl acetate |
| Wiley ID |
8_11044 |
