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1H-2,10a-Ethanophenanthrene, kauran-18-al deriv.
SpectraBase Compound ID H3XsTkQcK8K
InChI InChI=1S/C39H46O2/c1-36(28-40)22-12-23-37(2)34(36)21-24-38-25-29(19-20-35(37)38)30(26-38)27-41-39(31-13-6-3-7-14-31,32-15-8-4-9-16-32)33-17-10-5-11-18-33/h3-11,13-18,28-30,34-35H,12,19-27H2,1-2H3/t29-,30-,34+,35-,36+,37+,38-/m1/s1
InChIKey DTHPURQREDKUES-HAESHZTISA-N
Mol Weight 546.8 g/mol
Molecular Formula C39H46O2
Exact Mass 546.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46cCY7augc2
Name 1H-2,10a-Ethanophenanthrene, kauran-18-al deriv.
CAS Registry Number 112609-04-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H46O2
InChI InChI=1S/C39H46O2/c1-36(28-40)22-12-23-37(2)34(36)21-24-38-25-29(19-20-35(37)38)30(26-38)27-41-39(31-13-6-3-7-14-31,32-15-8-4-9-16-32)33-17-10-5-11-18-33/h3-11,13-18,28-30,34-35H,12,19-27H2,1-2H3/t29-,30-,34+,35-,36+,37+,38-/m1/s1
InChIKey DTHPURQREDKUES-HAESHZTISA-N
Molecular Weight 546.795 g/mol
SMILES [C@]123[C@@]([C@]4(CCC[C@]([C@@]4(CC3)[H])(C=O)C)C)(CC[C@](C2)([C@](C1)(COC(c1ccccc1)(c1ccccc1)c1ccccc1)[H])[H])[H]
SPLASH splash10-0006-0090000000-d07e2d4fc80a297dfb8e
Source of Spectrum B-40-473-4
Synonyms Kauran-18-al, 17-(triphenylmethoxy)-, (4.alpha.,16.alpha.)- (4beta,13alpha)-17-(trityloxy)kauran-18-al ent-17-trityloxykauran-19-al
Wiley ID 1405336