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Stigmasta-5,23-dien-3-ol, 28-methoxy-, (3.beta.)-
SpectraBase Compound ID IUDoc1IX9WB
InChI InChI=1S/C30H50O2/c1-19(2)24(21(4)32-7)10-8-20(3)26-12-13-27-25-11-9-22-18-23(31)14-16-29(22,5)28(25)15-17-30(26,27)6/h9-10,19-21,23,25-28,31H,8,11-18H2,1-7H3/b24-10+/t20-,21?,23+,25+,26-,27+,28+,29+,30-/m1/s1
InChIKey NZDSPRBDCUOUFS-MKQRXTDXSA-N
Mol Weight 442.7 g/mol
Molecular Formula C30H50O2
Exact Mass 442.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZbDoJUKVVV
Name Stigmasta-5,23-dien-3-ol, 28-methoxy-, (3.beta.)-
Alternate Name(s) (3beta,23E)-28-methoxystigmasta-5,23-dien-3-ol 28-Methoxy-23-ethylchoesta-5,23-dien-3.beta.-ol 28-Methoxy-23-ethylcholesta-5,23-dien-3.beta.-ol 28-Methoxy-24-ethylcholesta-5,23-dien-3.beta.-ol
CAS Registry Number 85735-44-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O2
InChI InChI=1S/C30H50O2/c1-19(2)24(21(4)32-7)10-8-20(3)26-12-13-27-25-11-9-22-18-23(31)14-16-29(22,5)28(25)15-17-30(26,27)6/h9-10,19-21,23,25-28,31H,8,11-18H2,1-7H3/b24-10+/t20-,21?,23+,25+,26-,27+,28+,29+,30-/m1/s1
InChIKey NZDSPRBDCUOUFS-MKQRXTDXSA-N
Molecular Weight 442.728 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\(C(OC)C)C(C)C)(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-0ul1-0089100000-7046087b02affc57329e
Source of Spectrum C-105-4416-0
Wiley ID 1385583