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8,8'-Bickol Dodecaacetate
SpectraBase Compound ID 6uoie0Cu42k
InChI InChI=1S/C60H46O30/c1-23(61)73-35-13-36(74-24(2)62)16-39(15-35)85-53-43(79-29(7)67)21-45(81-31(9)69)55-59(53)89-51-47(87-55)19-41(77-27(5)65)49(57(51)83-33(11)71)50-42(78-28(6)66)20-48-52(58(50)84-34(12)72)90-60-54(44(80-30(8)68)22-46(56(60)88-48)82-32(10)70)86-40-17-37(75-25(3)63)14-38(18-40)76-26(4)64/h13-22H,1-12H3
InChIKey NLKLGZXPJKRHNT-UHFFFAOYSA-N
Mol Weight 1247.0 g/mol
Molecular Formula C60H46O30
Exact Mass 1246.20739 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xMNnFLucGu
Name 8,8'-Bickol Dodecaacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C60H46O30
InChI InChI=1S/C60H46O30/c1-23(61)73-35-13-36(74-24(2)62)16-39(15-35)85-53-43(79-29(7)67)21-45(81-31(9)69)55-59(53)89-51-47(87-55)19-41(77-27(5)65)49(57(51)83-33(11)71)50-42(78-28(6)66)20-48-52(58(50)84-34(12)72)90-60-54(44(80-30(8)68)22-46(56(60)88-48)82-32(10)70)86-40-17-37(75-25(3)63)14-38(18-40)76-26(4)64/h13-22H,1-12H3
InChIKey NLKLGZXPJKRHNT-UHFFFAOYSA-N
Molecular Weight 1246.998 g/mol
SMILES c12c(Oc3c(O2)c(c(-c2c(c4Oc5c(c(OC(=O)C)cc(c5Oc4cc2OC(=O)C)OC(=O)C)Oc2cc(OC(=O)C)cc(c2)OC(=O)C)OC(=O)C)c(c3)OC(=O)C)OC(=O)C)c(OC(=O)C)cc(c1Oc1cc(OC(=O)C)cc(c1)OC(=O)C)OC(=O)C
SPLASH splash10-0006-9100000000-05ceb0973470e7415df9
Source of Spectrum E1-37-2440-2
Wiley ID 1517987