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CALODIMER_B;ABIETA-8,11-13-TRIEN-12-YL_ALPHA-CADINE-10-YL_ETHER
SpectraBase Compound ID 856UDVB3QS7
InChI InChI=1S/C35H54O/c1-22(2)26-15-18-35(9,29-13-11-24(5)19-28(26)29)36-31-21-30-25(20-27(31)23(3)4)12-14-32-33(6,7)16-10-17-34(30,32)8/h19-23,26,28-29,32H,10-18H2,1-9H3/t26-,28-,29+,32-,34+,35+/m0/s1
InChIKey PUOUOSYFDPLSOP-TYEQMGJPSA-N
Mol Weight 490.8 g/mol
Molecular Formula C35H54O
Exact Mass 490.417466 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6eR2jKOXb9i
Name Abieta-8',11',13'-trien-12'-yl .alpha.-Cadina-10-yl-Ether
Alternate Name(s) Calocedimer B (4aS,10aS)-6-[[(1R,4S,4aR,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl]oxy]-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H54O
InChI InChI=1S/C35H54O/c1-22(2)26-15-18-35(9,29-13-11-24(5)19-28(26)29)36-31-21-30-25(20-27(31)23(3)4)12-14-32-33(6,7)16-10-17-34(30,32)8/h19-23,26,28-29,32H,10-18H2,1-9H3/t26-,28-,29+,32-,34+,35+/m0/s1
InChIKey PUOUOSYFDPLSOP-TYEQMGJPSA-N
Molecular Weight 490.816 g/mol
SMILES [C@]12(c3cc(c(C(C)C)cc3CC[C@]1(C(C)(C)CCC2)[H])O[C@]1([C@]2([C@](C=C(CC2)C)([H])[C@@](CC1)(C(C)C)[H])[H])C)C
SPLASH splash10-000i-1390000000-735439ea11c1ba68b710
Source of Spectrum G4-69-667-2
Wiley ID 1694251