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Ergosta-5,24-diene-3,22,28-triol, triacetate, (3.beta.,22R)-
SpectraBase Compound ID FATF4X6DPRx
InChI InChI=1S/C34H52O6/c1-20(2)25(19-38-22(4)35)17-32(40-24(6)37)21(3)29-11-12-30-28-10-9-26-18-27(39-23(5)36)13-15-33(26,7)31(28)14-16-34(29,30)8/h9,21,27-32H,10-19H2,1-8H3/t21-,27-,28-,29+,30-,31-,32?,33-,34+/m0/s1
InChIKey JXSPPPTUNJEEDY-CMRZVISISA-N
Mol Weight 556.8 g/mol
Molecular Formula C34H52O6
Exact Mass 556.376389 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8g4jo6Bqyxa
Name Ergosta-5,24-diene-3,22,28-triol, triacetate, (3.beta.,22R)-
Alternate Name(s) (3beta)-22,28-bis(acetyloxy)ergosta-5,24-dien-3-yl acetate Monodehydro derivative ol (22R,24.XI.)-24-methylcholest-5-en-3.beta.,22,25,28-tetraol-3,22,28-triacetate
CAS Registry Number 80322-14-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H52O6
InChI InChI=1S/C34H52O6/c1-20(2)25(19-38-22(4)35)17-32(40-24(6)37)21(3)29-11-12-30-28-10-9-26-18-27(39-23(5)36)13-15-33(26,7)31(28)14-16-34(29,30)8/h9,21,27-32H,10-19H2,1-8H3/t21-,27-,28-,29+,30-,31-,32?,33-,34+/m0/s1
InChIKey JXSPPPTUNJEEDY-CMRZVISISA-N
Molecular Weight 556.784 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(CC[C@@]1([C@@](C(CC(=C(C)C)COC(=O)C)OC(=O)C)(C)[H])[H])[H])C
SPLASH splash10-0005-6321900000-e4b3cecd916f0c85a89e
Source of Spectrum F-37-2402-0
Wiley ID 1406435