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(22-S,25-S)-SOLANID-5-EN-3-BETA-OL

View entire compound with spectra: 3 NMR, and 3 MS (GC)

(22-S,25-S)-SOLANID-5-EN-3-BETA-OL
SpectraBase Compound ID DUmtmF3UPvu
InChI InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3
InChIKey JVKYZPBMZPJNAJ-UHFFFAOYSA-N
Mol Weight 397.6 g/mol
Molecular Formula C27H43NO
Exact Mass 397.334465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6aCKFBVS8Z1
Name Solanid-5-en-3-ol
Alternate Name(s) 22R,25S-Solanidanine 22r,25S-solanidine Isosolanidine Solanid-5-en-3-ol, (3-beta)- Solanid-5-en-3-ol, (3.beta.)- Solanidin Solanidine Solatubin Solatubine BRN 0045370 CCRIS 6508 EINECS 201-309-5 NSC 76025
CAS Registry Number 80-78-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H43NO
InChI InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3
InChIKey JVKYZPBMZPJNAJ-UHFFFAOYSA-N
Molecular Weight 397.647 g/mol
SMILES OC1CC=2C(C)(C3C(C4CC5C(C4(C)CC3)C(C3CCC(CN53)C)C)CC2)CC1
SPLASH splash10-0udi-5910000000-4ec7f6724534e31eb94a
Wiley ID 1509406