| SpectraBase Spectrum ID |
FK4hVvnQs9F |
| Name |
ERGOSTA-5,7,22-TRIEN-3-OL, (3.BETA.,22E)- |
| CAS Registry Number |
57-87-4 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
396.339216036 u |
| Formula |
C28H44O |
| InChI |
InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1 |
| InChIKey |
DNVPQKQSNYMLRS-APGDWVJJSA-N |
| Molecular Weight |
396.659 g/mol |
| Nominal Mass |
396 u |
| Number of Peaks |
322 |
| SMILES |
O[C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4(C3=CC=C2C1)[H])([C@@](\C=C\[C@](C)(C(C)C)[H])(C)[H])[H])C)[H])C)[H] |
| SPLASH |
splash10-11ov-7935000000-22858b5635e852d38a0e |
| Source File Reference |
LMCM-26847-000T |
| Source of Spectrum |
Prof. J. Seibl; ETH Zurich, Switzerland |
| Synonyms |
(22E)-ERGOSTA-5,7,22-TRIEN-3-OL
(1S,2R,5S,11R,14R,15R)-14-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-7,9-dien-5-ol |
| Wiley ID |
8_21011 |
