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Spirosolan-3-ol, (3.beta.,5.alpha.,22.beta.,25S)-
SpectraBase Compound ID uPAlYwAOpG
InChI InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3
InChIKey XYNPYHXGMWJBLV-UHFFFAOYSA-N
Mol Weight 415.7 g/mol
Molecular Formula C27H45NO2
Exact Mass 415.34503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQFpR5BZxYV
Name Spirosolan-3-ol, (3.beta.,5.alpha.,22.beta.,25S)-
CAS Registry Number 77-59-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H45NO2
InChI InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3
InChIKey XYNPYHXGMWJBLV-UHFFFAOYSA-N
Molecular Weight 415.662 g/mol
SMILES OC1CCC2(C(CCC3C4C(C5C(C6(OC5C4)NCC(CC6)C)C)(CCC23)C)C1)C
SPLASH splash10-01p9-0901200000-ebe0f591875744771660
Source of Spectrum W-0-789-24
Synonyms Spirosolan-3-ol (3beta,5alpha,22beta,25S)-spirosolan-3-ol 5,6-Dihydrosolasodine 5.alpha.-Solasodan-3.beta.-ol 5.alpha.-Tomatidan-3.beta.-ol Dihydrosolasodine isomer Megacarpidin Megacarpidine Soladulcidin Soladulcidine Spirosolan-3-ol, (3.beta.,5.alpha.,22.alpha.,25R)- Spirosolan-3-ol, (3beta,5alpha,22beta,25S)- Tomatidin Tomatidine EINECS 201-040-3 NSC 226903
Wiley ID 754264