For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

12-CHLOROMERCURIO-TOTARA-8,11,13-TRIEN-13-OL

View entire compound with spectra: 1 NMR, and 1 MS (GC)

12-CHLOROMERCURIO-TOTARA-8,11,13-TRIEN-13-OL
SpectraBase Compound ID 58rX9bSTuMX
InChI InChI=1S/C20H29O.ClH.Hg/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21;;/h8,13,17,21H,6-7,10-12H2,1-5H3;1H;/q;;+1/p-1/t17-,20+;;/m0../s1
InChIKey QRZRNNLKFFJKOR-RHXOVYDGSA-M
Mol Weight 521.5 g/mol
Molecular Formula C20H29ClHgO
Exact Mass 522.161337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1UyiuyPBhXU
Name [(4bS,8aS)-2-hydroxy-1-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]-chloro-mercury
Alternate Name(s) [(4bS,8aS)-2-hydroxy-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]-chloromercury [(4bS,8aS)-4b,8,8-trimethyl-2-oxidanyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]-chloranyl-mercury
CAS Registry Number 129456-83-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29ClHgO
InChI InChI=1S/C20H29O.ClH.Hg/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21;;/h8,13,17,21H,6-7,10-12H2,1-5H3;1H;/q;;+1/p-1/t17-,20+;;/m0../s1
InChIKey QRZRNNLKFFJKOR-RHXOVYDGSA-M
Molecular Weight 521.496 g/mol
SMILES Oc1c(cc2c(c1C(C)C)CC[C@@]1([C@@]2(CCCC1(C)C)C)[H])[Hg]Cl
SPLASH splash10-00tf-9350010000-018b35845312fa9f1a4c
Source of Spectrum B-43-690-5
Wiley ID 1402189