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(1S,15R)-bicyclo[13.1.0]hexadecan-2-one 1,4-di-O-benzyl-d-threitol ketal
SpectraBase Compound ID ISiHCIba0Yg
InChI InChI=1S/C34H48O4/c1-2-4-6-8-16-22-34(31-23-30(31)21-15-7-5-3-1)37-32(26-35-24-28-17-11-9-12-18-28)33(38-34)27-36-25-29-19-13-10-14-20-29/h9-14,17-20,30-33H,1-8,15-16,21-27H2/t30-,31+,32?,33?,34?/m1/s1
InChIKey LIYFLNZNGHJKND-YFVMJRAYSA-N
Mol Weight 520.8 g/mol
Molecular Formula C34H48O4
Exact Mass 520.35526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6EjG1da9Ee6
Name (1S,15R)-bicyclo[13.1.0]hexadecan-2-one 1,4-di-O-benzyl-d-threitol ketal
Alternate Name(s) (1S,15R)-4',5'-bis[(benzyloxy)methyl]spiro[bicyclo[13.1.0]hexadecane-2,2'-[1,3]dioxolane]
CAS Registry Number 102521-17-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H48O4
InChI InChI=1S/C34H48O4/c1-2-4-6-8-16-22-34(31-23-30(31)21-15-7-5-3-1)37-32(26-35-24-28-17-11-9-12-18-28)33(38-34)27-36-25-29-19-13-10-14-20-29/h9-14,17-20,30-33H,1-8,15-16,21-27H2/t30-,31+,32?,33?,34?/m1/s1
InChIKey LIYFLNZNGHJKND-YFVMJRAYSA-N
Molecular Weight 520.754 g/mol
SMILES C12([C@]3(C[C@]3(CCCCCCCCCCCC1)[H])[H])OC(COCc1ccccc1)C(O2)COCc1ccccc1
SPLASH splash10-0006-9100000000-3e3a2ef1a1dc6e820a0c
Source of Spectrum J-51-2724-4
Wiley ID 1402059