| SpectraBase Compound ID | 24nBvsOYfT0 |
|---|---|
| InChI | InChI=1S/C36H52O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35(38)39-34-24-23-33-32-21-19-28-27-29(37)20-22-30(28)31(32)25-26-36(33,34)2/h4-5,7-8,10-11,20,22,27,31-34,37H,3,6,9,12-19,21,23-26H2,1-2H3/b5-4+,8-7+,11-10+/t31-,32-,33+,34+,36+/m1/s1 |
| InChIKey | LHVXOINEDJHNMT-QCPFCZQKSA-N |
| Mol Weight | 532.8 g/mol |
| Molecular Formula | C36H52O3 |
| Exact Mass | 532.391646 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4MpVvk9SVEy |
|---|---|
| Name | 3,17.beta.-Estradiol-17-cis,cis,cis-9,12,15-octadecatrienoate |
| Appearance | Oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H52O3 |
| InChI | InChI=1S/C36H52O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35(38)39-34-24-23-33-32-21-19-28-27-29(37)20-22-30(28)31(32)25-26-36(33,34)2/h4-5,7-8,10-11,20,22,27,31-34,37H,3,6,9,12-19,21,23-26H2,1-2H3/b5-4+,8-7+,11-10+/t31-,32-,33+,34+,36+/m1/s1 |
| InChIKey | LHVXOINEDJHNMT-QCPFCZQKSA-N |
| Instrument Name | TRIO-2 VG Masslab Shimadzu QP-5000 and Finnigan TSQ70 |
| Ionization Type | EI |
| Literature Reference DOI | 10.3998/ark.5550190.0006.c12 |
| Molecular Weight | 532.809 g/mol |
| SMILES | Oc1cc2c(cc1)[C@@]1([C@@](CC2)([C@]2([C@](CC1)([C@](CC2)(OC(=O)CCCCCCC\C=C\C\C=C\C\C=C\CC)[H])C)[H])[H])[H] |
| SPLASH | splash10-053u-9220070000-eb1fb5c4a1f61e2cd0bb |
| Source of Spectrum | ARK-2005-186-3k |
| Wiley ID | 1870917 |