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Phenanthrene, 7-ethenyltetradecahydro-8a-methoxy-1,1,4a,7-tetramethyl-, [4aS-(4a.alpha.,4b.beta.,7.beta.,8a.alpha.,10a.beta.)]-
SpectraBase Compound ID ELaiBi9h5U6
InChI InChI=1S/C21H36O/c1-7-19(4)13-9-17-20(5)12-8-11-18(2,3)16(20)10-14-21(17,15-19)22-6/h7,16-17H,1,8-15H2,2-6H3/t16-,17+,19+,20-,21+/m0/s1
InChIKey IPVVSPGAXNJMHH-LSNMZSPYSA-N
Mol Weight 304.5 g/mol
Molecular Formula C21H36O
Exact Mass 304.276616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3fwrSQQ55u9
Name Phenanthrene, 7-ethenyltetradecahydro-8a-methoxy-1,1,4a,7-tetramethyl-, [4aS-(4a.alpha.,4b.beta.,7.beta.,8a.alpha.,10a.beta.)]-
Alternate Name(s) 8-Methoxypimar-15-ene 8.beta.-methoxysandaracopimarene
CAS Registry Number 117591-00-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O
InChI InChI=1S/C21H36O/c1-7-19(4)13-9-17-20(5)12-8-11-18(2,3)16(20)10-14-21(17,15-19)22-6/h7,16-17H,1,8-15H2,2-6H3/t16-,17+,19+,20-,21+/m0/s1
InChIKey IPVVSPGAXNJMHH-LSNMZSPYSA-N
Molecular Weight 304.518 g/mol
SMILES [C@]12([C@@]3([C@@](C[C@@](CC3)(C=C)C)(OC)CC[C@]1(C(C)(C)CCC2)[H])[H])C
SPLASH splash10-05p9-5791000000-c388d8c6acef1c133dec
Source of Spectrum F-44-3755-3
Wiley ID 1307039