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Ergosta-5, 24(28)-dien-2,3- cis-diol

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Ergosta-5, 24(28)-dien-2,3- cis-diol
SpectraBase Compound ID LW5FSiwZ3Jz
InChI InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-11-12-23-21-10-9-20-15-25(29)26(30)16-28(20,6)24(21)13-14-27(22,23)5/h9,17,19,21-26,29-30H,3,7-8,10-16H2,1-2,4-6H3
InChIKey NXPWPFRPPGHFQT-UHFFFAOYSA-N
Mol Weight 414.7 g/mol
Molecular Formula C28H46O2
Exact Mass 414.349781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7qTSTm2ofMp
Name Ergosta-5, 24(28)-dien-2,3- cis-diol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.349780719 u
Formula C28H46O2
InChI InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-11-12-23-21-10-9-20-15-25(29)26(30)16-28(20,6)24(21)13-14-27(22,23)5/h9,17,19,21-26,29-30H,3,7-8,10-16H2,1-2,4-6H3
InChIKey NXPWPFRPPGHFQT-UHFFFAOYSA-N
Molecular Weight 414.674 g/mol
SMILES C1(CC2(C3C(CC=C2CC1O)C1C(C(CC1)C(CCC(C(C)C)=C)C)(C)CC3)C)O