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(5S,6S,11R,15R,23R)-1,5,7,11,15,19,19,23-Octamethylhexacyclo[12.12.0.0(2,11).0(5,10).0(15,24).0(18,23)]hexacosane-7-en-6-carboxylic acid methyl ester
SpectraBase Compound ID AAASxK78kwF
InChI InChI=1S/C36H58O2/c1-23-11-12-25-33(5)20-15-27-34(6)19-13-24-31(2,3)17-10-18-32(24,4)26(34)14-21-35(27,7)28(33)16-22-36(25,8)29(23)30(37)38-9/h11,24-29H,10,12-22H2,1-9H3/t24?,25?,26?,27?,28?,29-,32+,33+,34-,35+,36+/m1/s1
InChIKey HNIIBMVNFSHPDP-UTSRJVNUSA-N
Mol Weight 522.9 g/mol
Molecular Formula C36H58O2
Exact Mass 522.443681 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ud8DOlNRo
Name (5S,6S,11R,15R,23R)-1,5,7,11,15,19,19,23-Octamethylhexacyclo[12.12.0.0(2,11).0(5,10).0(15,24).0(18,23)]hexacosane-7-en-6-carboxylic acid methyl ester
Alternate Name(s) 1,5,7,11,15,19,19,23-Octamethylhexacyclo[12.12.0.0(2,11).0(5,10).0(15,24).0(18,23)]hexacosane-6-carboxylic acid methyl ester Methyl (1S,4bR,6bR,12aS,14aS,16aS)-2,4b,6b,9,9,12a,14a,16a-octamethyl-1,4,4a,4b,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b,15,16,16a-tetracosahydrobenzo[c]picene-1-carboxylate
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Formula C36H58O2
InChI InChI=1S/C36H58O2/c1-23-11-12-25-33(5)20-15-27-34(6)19-13-24-31(2,3)17-10-18-32(24,4)26(34)14-21-35(27,7)28(33)16-22-36(25,8)29(23)30(37)38-9/h11,24-29H,10,12-22H2,1-9H3/t24?,25?,26?,27?,28?,29-,32+,33+,34-,35+,36+/m1/s1
InChIKey HNIIBMVNFSHPDP-UTSRJVNUSA-N
Molecular Weight 522.858 g/mol
SMILES [C@@]12(C([C@@]3(CCC4[C@@]5(CCC6[C@@](C5CC[C@@]4(C3CC2)C)(CCCC6(C)C)C)C)C)CC=C([C@@]1(C(=O)OC)[H])C)C
SPLASH splash10-0ars-9612000000-30e3e4bb49f2a5f4eb40
Source of Spectrum K-2001-718-13
Wiley ID 1578766