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5.alpha.,8.alpha.-epi-Dioxy-24-methylcholesta-6,22-dien-3.beta.-ol
SpectraBase Compound ID FBRxLrk0sI3
InChI InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20?,21+,22?,23?,24?,25-,26-,27-,28+/m1/s1
InChIKey VXOZCESVZIRHCJ-IDJZIZTOSA-N
Mol Weight 428.7 g/mol
Molecular Formula C28H44O3
Exact Mass 428.329045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJ6tGY9ACA
Name 5.alpha.,8.alpha.-epi-Dioxy-24-methylcholesta-6,22-dien-3.beta.-ol
Alternate Name(s) (1S,6R,10R,13S,15S)-6,10-dimethyl-5-[(2E,4S)-1,4,5-trimethyl-2-hexenyl]-16,17-dioxapentacyclo[13.2.2.0(1,9).0(2,6).0(10,15)]nonadec-18-en-13-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H44O3
InChI InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20?,21+,22?,23?,24?,25-,26-,27-,28+/m1/s1
InChIKey VXOZCESVZIRHCJ-IDJZIZTOSA-N
Molecular Weight 428.657 g/mol
SMILES O[C@@]1(C[C@]23C=C[C@@]4(C5[C@](C(C(\C=C\[C@](C(C)C)(C)[H])C)CC5)(C)CCC4[C@]2(CC1)C)OO3)[H]
SPLASH splash10-01ot-0009400000-583debcb71a1004e1d0f
Source of Spectrum I-78-991-3
Wiley ID 812870