| SpectraBase Spectrum ID |
30EqIVTueC4 |
| Name |
(17.beta.)-Estra-1,3,5(10)-triene-3,17-diol trans-9-octadecenoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H56O3 |
| InChI |
InChI=1S/C36H56O3/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/h10-11,20,22,27,31-34,37H,3-9,12-19,21,23-26H2,1-2H3/b11-10-/t31-,32-,33+,34+,36+/m1/s1 |
| InChIKey |
ZIXGCHCKYAYGLA-IWMFVQSDSA-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 |
536.841 g/mol |
| Reported Formula |
C36H56O3 |
| SMILES |
Oc1ccc2c(c1)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2(OC(=O)CCCCCCC\C=C/CCCCCCCC)[H])[H])C)[H])[H] |
| SPLASH |
splash10-0a4i-8980010000-c405d4df9ca5a51fa67c |
| Source of Spectrum |
ARK-2005-185-3i |
| Wiley ID |
1870915 |
