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Spirosolan-3-ol, (3.beta.,5.alpha.,22.beta.,25S)-
SpectraBase Compound ID DOW3WKqQvx8
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/t16-,17?,18+,19+,20?,21?,22?,23?,24?,25?,26?,27?/m1/s1
InChIKey XYNPYHXGMWJBLV-WSGRXZBZSA-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 4Qa1a8PuS1u
Name Spirosolan-3-ol, (3.beta.,5.alpha.,22.beta.,25S)-
Alternate Name(s) 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
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/t16-,17?,18+,19+,20?,21?,22?,23?,24?,25?,26?,27?/m1/s1
InChIKey XYNPYHXGMWJBLV-WSGRXZBZSA-N
Molecular Weight 415.662 g/mol
SMILES O[C@]1(CCC2([C@@](CCC3C4C(C5C(C6(OC5C4)NC[C@@](CC6)(C)[H])C)(CCC23)C)(C1)[H])C)[H]
SPLASH splash10-03dr-1900000000-77a6aeb000f194d54929
Source of Spectrum AD-0-3943-0
Wiley ID 58353