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(4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl) acetate
SpectraBase Compound ID 9PQ5BzfMcUD
InChI InChI=1S/C32H52O2/c1-21(33)34-26-13-17-30(7)22(28(26,4)5)11-15-31(8)23-10-14-29(6)19-18-27(2,3)20-25(29)32(23,9)16-12-24(30)31/h10,22,24-26H,11-20H2,1-9H3/t22?,24?,25?,26-,29-,30-,31-,32+/m0/s1
InChIKey YWJGYBXHXATAQY-ZYTHIQSJSA-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 Dj63OmpJ391
Name (4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl) acetate
Alternate Name(s) (4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl) ethanoate Acetic acid (4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl) ester D-friedoolean-14-en-3-ol, acetate, (3beta)- Friedoolean-14-en-3-yl acetate Taraxerol acetate
CAS Registry Number 2189-80-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H52O2
InChI InChI=1S/C32H52O2/c1-21(33)34-26-13-17-30(7)22(28(26,4)5)11-15-31(8)23-10-14-29(6)19-18-27(2,3)20-25(29)32(23,9)16-12-24(30)31/h10,22,24-26H,11-20H2,1-9H3/t22?,24?,25?,26-,29-,30-,31-,32+/m0/s1
InChIKey YWJGYBXHXATAQY-ZYTHIQSJSA-N
Molecular Weight 468.766 g/mol
SMILES C=12[C@]3(C([C@]4(CC[C@@](C(C4CC3)(C)C)(OC(=O)C)[H])C)CC[C@]2(C2CC(C)(C)CC[C@@]2(CC1)C)C)C
SPLASH splash10-0uxu-2693300000-f0b676b83f820728ebf0
Source of Spectrum CD-468-0-0
Wiley ID 1392531