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Etiochol-9(11)-en-3.alpha.,17.beta.-diol, diacetate
SpectraBase Compound ID FPWDUOeom8G
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
Mol Weight 374.5 g/mol
Molecular Formula C23H34O4
Exact Mass 374.24571 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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