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

*Links on SpectraBase are not permalinks.
1,3,4,6,8-Hexahydroxy-10,11-bis(nonadecyl-phenanthro[1,10,9,8-o,p,q,r,a]-perylene-7,14-dione
SpectraBase Compound ID FT7fnu1CxhP
InChI InChI=1S/C66H88O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43-39-45(67)55-59-51(43)52-44(38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)40-46(68)56-60(52)64-62-54(48(70)42-50(72)58(62)66(56)74)53-47(69)41-49(71)57(65(55)73)61(53)63(59)64/h39-42,67-72H,3-38H2,1-2H3
InChIKey QRQSANHCANQTHK-UHFFFAOYSA-N
Mol Weight 1009.4 g/mol
Molecular Formula C66H88O8
Exact Mass 1008.64792 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 4Y6lYjqba4
Name 1,3,4,6,8-Hexahydroxy-10,11-bis(nonadecyl-phenanthro[1,10,9,8-o,p,q,r,a]-perylene-7,14-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C66H88O8
InChI InChI=1S/C66H88O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43-39-45(67)55-59-51(43)52-44(38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)40-46(68)56-60(52)64-62-54(48(70)42-50(72)58(62)66(56)74)53-47(69)41-49(71)57(65(55)73)61(53)63(59)64/h39-42,67-72H,3-38H2,1-2H3
InChIKey QRQSANHCANQTHK-UHFFFAOYSA-N
Molecular Weight 1009.422 g/mol
SMILES Oc1c2c3c(c4c5c6c7c(C(c5c(cc4CCCCCCCCCCCCCCCCCCC)O)=O)c(cc(c7c4c(c(C2=O)c(cc4O)O)c36)O)O)c(c1)CCCCCCCCCCCCCCCCCCC
SPLASH splash10-0nmi-9000070301-4a3fe8715942e1e42efa
Source of Spectrum AH-127-720-2
Synonyms 5,7,11,18,22,24-hexahydroxy-13,16-dinonadecyloctacyclo[13.11.1.1(2,10).0(3,8).0(4,25).0(19,27).0(21,26).0(14,28)]octacosa-1(26),2,4(25),5,7,10(28),11,13,15,17,19(27),21,23-tridecaene-9,20-dione
Wiley ID 1418414