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27-Norstigmasta-5,25-dien-3-ol, 25-ethyl-, acetate, (3.beta.,24.xi.)-
SpectraBase Compound ID 96w4TYRAmDL
InChI InChI=1S/C32H52O2/c1-8-21(3)24(9-2)11-10-22(4)28-14-15-29-27-13-12-25-20-26(34-23(5)33)16-18-31(25,6)30(27)17-19-32(28,29)7/h12,22,24,26-30H,3,8-11,13-20H2,1-2,4-7H3/t22-,24-,26+,27+,28-,29+,30+,31+,32-/m1/s1
InChIKey ISGMZHUQZVJTNT-INTLSOJMSA-N
Mol Weight 468.8 g/mol
Molecular Formula C32H52O2
Exact Mass 468.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Q7egStOlQ1
Name 27-Norstigmasta-5,25-dien-3-ol, 25-ethyl-, acetate, (3.beta.,24.xi.)-
Alternate Name(s) (1S,2R,5S,10S,11S,14R,15R)-14-[(2R,5R)-5-ethyl-6-methylideneoctan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-5-yl acetate 3-Acetylstrongylosterol Acetylstrongylosterol
CAS Registry Number 68671-50-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H52O2
InChI InChI=1S/C32H52O2/c1-8-21(3)24(9-2)11-10-22(4)28-14-15-29-27-13-12-25-20-26(34-23(5)33)16-18-31(25,6)30(27)17-19-32(28,29)7/h12,22,24,26-30H,3,8-11,13-20H2,1-2,4-7H3/t22-,24-,26+,27+,28-,29+,30+,31+,32-/m1/s1
InChIKey ISGMZHUQZVJTNT-INTLSOJMSA-N
Molecular Weight 468.766 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@@](CC[C@](C(=C)CC)(CC)[H])(C)[H])[H])[H])C
SPLASH splash10-0a4i-0091500000-4c773d2918c4b1c5db24
Source of Spectrum AN-78-542-0
Wiley ID 1392563