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(7'S)-hydroxyprestegane B

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(7'S)-hydroxyprestegane B
SpectraBase Compound ID 6D1wBibghxe
InChI InChI=1S/C20H22O7/c1-25-17-5-3-11(8-15(17)21)7-13-14(10-27-20(13)24)19(23)12-4-6-18(26-2)16(22)9-12/h3-6,8-9,13-14,19,21-23H,7,10H2,1-2H3/t13-,14+,19-/m1/s1
InChIKey YNOCUODOFOEIFZ-BIENJYKASA-N
Mol Weight 374.39 g/mol
Molecular Formula C20H22O7
Exact Mass 374.136553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DTDreOsbJkJ
Name (7'S)-Hydroxyprestegane B
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.136553041 u
Formula C20H22O7
InChI InChI=1S/C20H22O7/c1-25-17-5-3-11(8-15(17)21)7-13-14(10-27-20(13)24)19(23)12-4-6-18(26-2)16(22)9-12/h3-6,8-9,13-14,19,21-23H,7,10H2,1-2H3/t13-,14+,19-/m1/s1
InChIKey YNOCUODOFOEIFZ-BIENJYKASA-N
Molecular Weight 374.389 g/mol
SMILES [C@@]1([C@](C(=O)OC1)(CC=1C=C(C(OC)=CC1)O)[H])([C@@](C1=CC(O)=C(C=C1)OC)(O)[H])[H]