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SOLASOD-5-EN-3beta-OL
SpectraBase Compound ID HwquuxBaZ0e
InChI InChI=1S/C41H55NO6S2/c1-26-7-12-32(13-8-26)49(43,44)42-25-28(3)17-22-41(42)29(4)38-37(47-41)24-36-34-16-11-30-23-31(48-50(45,46)33-14-9-27(2)10-15-33)18-20-39(30,5)35(34)19-21-40(36,38)6/h7-15,28-29,31,34-38H,16-25H2,1-6H3/t28?,29-,31-,34?,35?,36?,37?,38?,39-,40-,41-/m0/s1
InChIKey MHKJDWCGADZSMG-OQRCDPMSSA-N
Mol Weight 722.0 g/mol
Molecular Formula C41H55NO6S2
Exact Mass 721.347081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnW60wmaAx2
Name Solasod-5-en-3.beta.-ol
Alternate Name(s) Purapuridine Salasdine Spiro[8H-naphth[2',1':4,5]indeno[2,1-b]furan-8,2'-piperidine], spirosol-5-en-3-ol deriv. Salasodine Solancarpidine Spirosol-5-en-3-ol, (3.beta.,22.alpha.,25R)- Spirosol-5-en-3-ol Solanidine-S Solasodin Solasodine Solasodine hydrochloride base Spirosol-5-en-3-ol, (3beta,22alpha,25R)- (25R)-N-(Toluene-4-sulfonyl)-3beta-(toluene-4-sulfonyloxy)-22alpha-N-spirosol-5-ene EINECS 204-774-2 HSDB 3538 NSC 178260 NSC 179187
CAS Registry Number 79659-49-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H55NO6S2
InChI InChI=1S/C41H55NO6S2/c1-26-7-12-32(13-8-26)49(43,44)42-25-28(3)17-22-41(42)29(4)38-37(47-41)24-36-34-16-11-30-23-31(48-50(45,46)33-14-9-27(2)10-15-33)18-20-39(30,5)35(34)19-21-40(36,38)6/h7-15,28-29,31,34-38H,16-25H2,1-6H3/t28?,29-,31-,34?,35?,36?,37?,38?,39-,40-,41-/m0/s1
InChIKey MHKJDWCGADZSMG-OQRCDPMSSA-N
Molecular Weight 722.012 g/mol
SMILES [C@@]12(N(CC(CC2)C)S(c2ccc(cc2)C)(=O)=O)OC2CC3[C@@](C2[C@@]1(C)[H])(CCC1[C@@]2(C(C[C@@](OS(c4ccc(cc4)C)(=O)=O)(CC2)[H])=CCC31)C)C
SPLASH splash10-01p9-0901000000-55d91842d970ecede50b
Source of Spectrum B-34-835-0
Wiley ID 1415668