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3-Dotriacontanone, 9,11-dihydroxy-4-methyl-, [4R-(4R*,9R*,11R*)]-
SpectraBase Compound ID 6wgT8KcxNIf
InChI InChI=1S/C33H66O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-31(34)29-32(35)28-25-24-26-30(3)33(36)5-2/h30-32,34-35H,4-29H2,1-3H3
InChIKey LSASFXRIJLRCGG-UHFFFAOYSA-N
Mol Weight 510.9 g/mol
Molecular Formula C33H66O3
Exact Mass 510.501196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5MNW6ETGA7
Name 3-Dotriacontanone, 9,11-dihydroxy-4-methyl-, [4R-(4R*,9R*,11R*)]-
CAS Registry Number 28808-36-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H66O3
InChI InChI=1S/C33H66O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-31(34)29-32(35)28-25-24-26-30(3)33(36)5-2/h30-32,34-35H,4-29H2,1-3H3
InChIKey LSASFXRIJLRCGG-UHFFFAOYSA-N
Molecular Weight 510.888 g/mol
SMILES OC(CC(CCCCC(C(CC)=O)C)O)CCCCCCCCCCCCCCCCCCCCC
SPLASH splash10-0ap3-9500000000-4add1503b09f4e544de2
Source of Spectrum T-67-5100-0
Synonyms 9,11-Dihydroxy-4-methyl-3-dotriacontanone 3-Dotriacontanone, 9,11-dihydroxy-4-methyl-, (9R,11R)- 4-Methyl-9,11-bis(oxidanyl)dotriacontan-3-one 9,11-dihydroxy-4-methyl-dotriacontan-3-one Phthiodiotone A
Wiley ID 1400604