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5a,6,7,8,8a,14a,15,16,17,17a-decahydro-7,16-epoxyheptacene-5,9,14,18-tetrone
SpectraBase Compound ID 3ac2La6LvSO
InChI InChI=1S/C30H22O5/c31-25-13-5-1-2-6-14(13)26(32)18-10-22-21(9-17(18)25)29-23-11-19-20(12-24(23)30(22)35-29)28(34)16-8-4-3-7-15(16)27(19)33/h1-8,17-20,29-30H,9-12H2
InChIKey GNBFUAVUDWBZFU-UHFFFAOYSA-N
Mol Weight 462.5 g/mol
Molecular Formula C30H22O5
Exact Mass 462.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43au4dPG44V
Name 5a,6,7,8,8a,14a,15,16,17,17a-decahydro-7,16-epoxyheptacene-5,9,14,18-tetrone
Alternate Name(s) 31-oxaoctacyclo[14.14.1.0(2,15).0(4,13).0(6,11).0(17,30).0(19,28).0(21,26)]hentriaconta-2(15),6,8,10,17(30),21,23,25-octaene-5,12,20,27-tetrone
CAS Registry Number 104157-24-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H22O5
InChI InChI=1S/C30H22O5/c31-25-13-5-1-2-6-14(13)26(32)18-10-22-21(9-17(18)25)29-23-11-19-20(12-24(23)30(22)35-29)28(34)16-8-4-3-7-15(16)27(19)33/h1-8,17-20,29-30H,9-12H2
InChIKey GNBFUAVUDWBZFU-UHFFFAOYSA-N
Molecular Weight 462.501 g/mol
SMILES C12=C(C3OC2C2=C3CC3C(C2)C(c2c(cccc2)C3=O)=O)CC2C(C1)C(c1c(cccc1)C2=O)=O
SPLASH splash10-03di-0000900000-aceea75bf3bb0f1a172e
Source of Spectrum J-51-4166-13
Wiley ID 1391193