SpectraBase Spectrum ID |
2RvvnIxLTjs |
Name |
Etiochol-9(11)-en-3.alpha.,17.beta.-diol, diacetate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
374.245709571 u |
Formula |
C23H34O4 |
InChI |
InChI=1S/C23H34O4/c1-14(24)26-17-9-11-22(3)16(13-17)5-6-18-19-7-8-21(27-15(2)25)23(19,4)12-10-20(18)22/h10,16-19,21H,5-9,11-13H2,1-4H3/t16?,17-,18+,19+,21+,22+,23+/m1/s1 |
InChIKey |
JVZVAWGMQGAEME-GUYYSMISSA-N |
Molecular Weight |
374.521 g/mol |
SMILES |
[C@@]1(CC[C@]2(C(C1)CC[C@@]1(C2=CC[C@]2([C@]1(CC[C@@]2(OC(=O)C)[H])[H])C)[H])C)(OC(=O)C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940193 |