SpectraBase Spectrum ID |
HA3TNKZjKXn |
Name |
CHOLEST-5-ENE |
CAS Registry Number |
570-74-1 |
Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
370.359951481 u |
Formula |
C27H46 |
InChI |
InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h12,19-20,22-25H,6-11,13-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1 |
InChIKey |
DTGDZMYNKLTSKC-HKQCOZBKSA-N |
Molecular Weight |
370.665 g/mol |
Nominal Mass |
370 u |
Number of Peaks |
81 |
SMILES |
C1CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC=C2C1)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C |
SPLASH |
splash10-05fu-9525000000-7d4f2b5c5f51def3d2f3 |
Source File Reference |
LMCM-92770-213Q |
Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
Synonyms |
(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene |
Wiley ID |
4_585 |