Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,27-diol, 11,23-bis(chloromethyl)-5,17-bis(1,1-dimethylethyl)-26,28-dimethoxy-, stereoisomer

SpectraBase Compound ID	KZoqH5bCwGA
InChI	InChI=1S/C40H46Cl2O4/c1-39(2,3)33-17-29-13-25-9-23(21-41)11-27(35(25)43)15-31-19-34(40(4,5)6)20-32(38(31)46-8)16-28-12-24(22-42)10-26(36(28)44)14-30(18-33)37(29)45-7/h9-12,17-20,43-44H,13-16,21-22H2,1-8H3
InChIKey	XCYNPXRCNDNFAT-UHFFFAOYSA-N Google Search
Mol Weight	661.7 g/mol
Molecular Formula	C40H46Cl2O4
Exact Mass	660.277315 g/mol

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SpectraBase Spectrum ID	8OSxIHXL39d
Name	Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,27-diol, 11,23-bis(chloromethyl)-5,17-bis(1,1-dimethylethyl)-26,28-dimethoxy-, stereoisomer
Alternate Name(s)	11,23-bis(chloromethyl)-5,17-bis(1,1-dimethylethyl)-26,28-dimethoxypentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,27-diol 5,17-ditert-butyl-11,23-bis(chloromethyl)-26,28-dimethoxypentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,27-diol
CAS Registry Number	129492-31-5
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C40H46Cl2O4
InChI	InChI=1S/C40H46Cl2O4/c1-39(2,3)33-17-29-13-25-9-23(21-41)11-27(35(25)43)15-31-19-34(40(4,5)6)20-32(38(31)46-8)16-28-12-24(22-42)10-26(36(28)44)14-30(18-33)37(29)45-7/h9-12,17-20,43-44H,13-16,21-22H2,1-8H3
InChIKey	XCYNPXRCNDNFAT-UHFFFAOYSA-N
Molecular Weight	661.710 g/mol
SMILES	Oc1c2Cc3c(c(Cc4c(c(Cc5c(c(Cc1cc(c2)CCl)cc(c5)C(C)(C)C)OC)cc(c4)CCl)O)cc(c3)C(C)(C)C)OC
SPLASH	splash10-004i-0090001000-4117be51ea53e8e74af4
Source of Spectrum	J-55-5642-10
Wiley ID	1413582