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polypoda-7(8),13,17,21-tetraen-3alpha-acetate
SpectraBase Compound ID EL3ku4hlWJx
InChI InChI=1S/C32H52O2/c1-23(2)13-10-14-24(3)15-11-16-25(4)17-12-18-28-26(5)19-20-29-31(7,8)30(34-27(6)33)21-22-32(28,29)9/h13,15,17,19,28-30H,10-12,14,16,18,20-22H2,1-9H3/b24-15+,25-17+/t28-,29-,30+,32+/m0/s1
InChIKey QOZHGHUVKGZUIK-ZFRJQSGTSA-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 GFJwUasrEzk
Name polypoda-7(8),13,17,21-tetraen-3alpha-acetate
Alternate Name(s) 3alpha-acetate-gamma-polypodatetraene (2R,4aR,5S,8aR)-1,1,4a,6-tetramethyl-5-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H52O2
InChI InChI=1S/C32H52O2/c1-23(2)13-10-14-24(3)15-11-16-25(4)17-12-18-28-26(5)19-20-29-31(7,8)30(34-27(6)33)21-22-32(28,29)9/h13,15,17,19,28-30H,10-12,14,16,18,20-22H2,1-9H3/b24-15+,25-17+/t28-,29-,30+,32+/m0/s1
InChIKey QOZHGHUVKGZUIK-ZFRJQSGTSA-N
Literature Reference DOI 10.1002/cbic.201800281
Molecular Weight 468.766 g/mol
SMILES C1C[C@]2([C@@](CC=C([C@@]2(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)[H])C)(C([C@@]1(OC(C)=O)[H])(C)C)[H])C
SPLASH splash10-015j-6910000000-caf4e9a3b7eba29fbfe1
Source of Spectrum CBC-19-SM82-35_acetate
Wiley ID 1814187