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28-Butoxy-pentacyclo(19.3.1.1/3,7/.1/9,13/.1/15,19/)octacosa-dodecene-25,26,27-triol
SpectraBase Compound ID 3UD5QSvA3fL
InChI InChI=1S/C32H32O4/c1-2-3-16-36-32-27-14-7-15-28(32)20-26-13-6-11-24(31(26)35)18-22-9-4-8-21(29(22)33)17-23-10-5-12-25(19-27)30(23)34/h4-15,33-35H,2-3,16-20H2,1H3
InChIKey SXHYKRWTXSKNGS-UHFFFAOYSA-N
Mol Weight 480.6 g/mol
Molecular Formula C32H32O4
Exact Mass 480.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LkC3ZseY8HJ
Name 28-Butyoxypentacyclo[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-dodecene-25,26,27-triol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H32O4
InChI InChI=1S/C32H32O4/c1-2-3-16-36-32-27-14-7-15-28(32)20-26-13-6-11-24(31(26)35)18-22-9-4-8-21(29(22)33)17-23-10-5-12-25(19-27)30(23)34/h4-15,33-35H,2-3,16-20H2,1H3
InChIKey SXHYKRWTXSKNGS-UHFFFAOYSA-N
Molecular Weight 480.604 g/mol
SMILES Oc1c2Cc3c(c(Cc4c(c(Cc5c(c(Cc1ccc2)ccc5)O)ccc4)OCCCC)ccc3)O
SPLASH splash10-0089-0000900000-bb0e2205b54b8a719102
Source of Spectrum F-47-2226-4
Synonyms 28-butoxypentacyclo[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-25,26,27-triol
Wiley ID 1395316