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1,3-Dioxane-6,6-d(2)-4-propanol, .alpha.-[2-(1,4,4a,7,8,8a-hexahydro-1,1,3,6-tetramethyl-2-naphthalenyl)ethyl]-.alpha.,2,2,5-tetramethyl-, [4S-[4.alpha.[S*(4aS*,8aS*),5.alpha.]]-
SpectraBase Compound ID 7CiVyfGwH33
InChI InChI=1S/C27H46O3/c1-18-9-10-23-21(15-18)16-19(2)22(25(23,4)5)11-13-27(8,28)14-12-24-20(3)17-29-26(6,7)30-24/h15,20-21,23-24,28H,9-14,16-17H2,1-8H3/t20-,21-,23+,24+,27?/m1/s1/i17D2
InChIKey QMPIWWGKCKICDK-ADPHPCJNSA-N
Mol Weight 420.7 g/mol
Molecular Formula C27H442D2O3
Exact Mass 420.357249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4uzQiLQVUDv
Name 1,3-Dioxane-6,6-d(2)-4-propanol, .alpha.-[2-(1,4,4a,7,8,8a-hexahydro-1,1,3,6-tetramethyl-2-naphthalenyl)ethyl]-.alpha.,2,2,5-tetramethyl-, [4S-[4.alpha.[S*(4aS*,8aS*),5.alpha.]]-
CAS Registry Number 105969-70-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44D2O3
InChI InChI=1S/C27H46O3/c1-18-9-10-23-21(15-18)16-19(2)22(25(23,4)5)11-13-27(8,28)14-12-24-20(3)17-29-26(6,7)30-24/h15,20-21,23-24,28H,9-14,16-17H2,1-8H3/t20-,21-,23+,24+,27?/m1/s1/i17D2
InChIKey QMPIWWGKCKICDK-ADPHPCJNSA-N
Molecular Weight 420.674 g/mol
SMILES OC(CCC=1C([C@]2(CCC(=C[C@@]2(CC1C)[H])C)[H])(C)C)(CC[C@@]1(OC(C)(C)OC([C@]1(C)[H])([2D])[2D])[H])C
SPLASH splash10-0f77-6951100000-9a2f45467940ddb310be
Source of Spectrum J-52-341-8
Wiley ID 1377465