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Methyl (22E,24R)-3.beta.-Hydroxystigmasta-5,22-dien-29-oate
SpectraBase Compound ID GmlNXM3Pz2F
InChI InChI=1S/C30H48O3/c1-19(2)21(17-28(32)33-6)8-7-20(3)25-11-12-26-24-10-9-22-18-23(31)13-15-29(22,4)27(24)14-16-30(25,26)5/h7-9,19-21,23-27,31H,10-18H2,1-6H3/b8-7+/t20-,21-,23+,24+,25-,26+,27+,29+,30-/m1/s1
InChIKey NEADRTOEVNMFKG-KDEUYILESA-N
Mol Weight 456.7 g/mol
Molecular Formula C30H48O3
Exact Mass 456.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DxKUgEk7bfr
Name Methyl (22E,24R)-3.beta.-Hydroxystigmasta-5,22-dien-29-oate
Alternate Name(s) Methyl (3beta,22E,24R)-3-hydroxystigmasta-5,22-dien-29-oate
CAS Registry Number 70832-46-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H48O3
InChI InChI=1S/C30H48O3/c1-19(2)21(17-28(32)33-6)8-7-20(3)25-11-12-26-24-10-9-22-18-23(31)13-15-29(22,4)27(24)14-16-30(25,26)5/h7-9,19-21,23-27,31H,10-18H2,1-6H3/b8-7+/t20-,21-,23+,24+,25-,26+,27+,29+,30-/m1/s1
InChIKey NEADRTOEVNMFKG-KDEUYILESA-N
Molecular Weight 456.711 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](\C=C\[C@](CC(=O)OC)(C(C)C)[H])(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-053r-4091700000-09f53a3aaf4bbf1ad0e1
Source of Spectrum J-44-3381-0
Wiley ID 1389484