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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, 5,17-bis(1,1-dimethylethyl)-26,28-dimethoxy-11,23-diphenyl-, stereoisomer
SpectraBase Compound ID 5VwxNSgUrqu
InChI InChI=1S/C50H52O4/c1-49(2,3)43-27-39-23-35-19-33(31-15-11-9-12-16-31)21-37(45(35)51)25-41-29-44(50(4,5)6)30-42(48(41)54-8)26-38-22-34(32-17-13-10-14-18-32)20-36(46(38)52)24-40(28-43)47(39)53-7/h9-22,27-30,51-52H,23-26H2,1-8H3
InChIKey JPIKUPFXUJNGCG-UHFFFAOYSA-N
Mol Weight 717.0 g/mol
Molecular Formula C50H52O4
Exact Mass 716.38656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9BmIEHuW4hb
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, 5,17-bis(1,1-dimethylethyl)-26,28-dimethoxy-11,23-diphenyl-, stereoisomer
CAS Registry Number 129492-33-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H52O4
InChI InChI=1S/C50H52O4/c1-49(2,3)43-27-39-23-35-19-33(31-15-11-9-12-16-31)21-37(45(35)51)25-41-29-44(50(4,5)6)30-42(48(41)54-8)26-38-22-34(32-17-13-10-14-18-32)20-36(46(38)52)24-40(28-43)47(39)53-7/h9-22,27-30,51-52H,23-26H2,1-8H3
InChIKey JPIKUPFXUJNGCG-UHFFFAOYSA-N
Molecular Weight 716.962 g/mol
SMILES Oc1c2Cc3c(c(Cc4c(c(Cc5c(c(Cc1cc(c2)-c1ccccc1)cc(c5)C(C)(C)C)OC)cc(c4)-c1ccccc1)O)cc(c3)C(C)(C)C)OC
SPLASH splash10-014i-2000000900-5b7340310c8a35e5cb7f
Source of Spectrum J-55-5643-13
Synonyms 5,17-bis(1,1-dimethylethyl)-26,28-dimethoxy-11,23-diphenylpentacyclo[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-26,28-dimethoxy-11,23-diphenylpentacyclo[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
Wiley ID 1415540