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Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-6-iodo-7-methoxy-1,1,4a-trimethyl-8-(1-methylethyl)-, (4bS-trans)-
SpectraBase Compound ID CYKrmOzuxaN
InChI InChI=1S/C21H31IO/c1-13(2)18-14-8-9-17-20(3,4)10-7-11-21(17,5)15(14)12-16(22)19(18)23-6/h12-13,17H,7-11H2,1-6H3/t17-,21+/m1/s1
InChIKey QNUANTSMPDVIJE-UTKZUKDTSA-N
Mol Weight 426.38 g/mol
Molecular Formula C21H31IO
Exact Mass 426.141961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4YFCBomLYTH
Name Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-6-iodo-7-methoxy-1,1,4a-trimethyl-8-(1-methylethyl)-, (4bS-trans)-
Alternate Name(s) (5beta,10alpha)-12-iodo-14-isopropyl-13-methoxypodocarpa-8,11,13-triene 12-iodo-13-methoxytotara-8,11,13-triene 2-iodo-3-methoxy-4-isopropyl-5,5,11a-trimethyl-5,6,7,8,9,10-hexahydrophenanthrene]chromium(0)
CAS Registry Number 129456-94-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31IO
InChI InChI=1S/C21H31IO/c1-13(2)18-14-8-9-17-20(3,4)10-7-11-21(17,5)15(14)12-16(22)19(18)23-6/h12-13,17H,7-11H2,1-6H3/t17-,21+/m1/s1
InChIKey QNUANTSMPDVIJE-UTKZUKDTSA-N
Molecular Weight 426.382 g/mol
SMILES c12c(c(C(C)C)c(c(c2)I)OC)CC[C@]2([C@]1(CCCC2(C)C)C)[H]
SPLASH splash10-00or-2009700000-87ab776c199ba607b914
Source of Spectrum B-43-697-31
Wiley ID 1379856