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1H-2,10a-Ethanophenanthrene, kauran-18-ol deriv.
SpectraBase Compound ID 9ouXDVGpZl
InChI InChI=1S/C39H48O2/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/h3-11,13-18,29-30,34-35,40H,12,19-28H2,1-2H3/t29-,30-,34+,35-,36+,37+,38-/m1/s1
InChIKey QEGYZHGPGVZCOY-HAESHZTISA-N
Mol Weight 548.8 g/mol
Molecular Formula C39H48O2
Exact Mass 548.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TX5fgF9VAA
Name 1H-2,10a-Ethanophenanthrene, kauran-18-ol deriv.
Alternate Name(s) Kauran-18-ol, 17-(triphenylmethoxy)-, (4.alpha.,16.alpha.)- (4beta,13alpha)-17-(trityloxy)kauran-18-ol ent-17-trityloxykauran-19-ol
CAS Registry Number 112608-99-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H48O2
InChI InChI=1S/C39H48O2/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/h3-11,13-18,29-30,34-35,40H,12,19-28H2,1-2H3/t29-,30-,34+,35-,36+,37+,38-/m1/s1
InChIKey QEGYZHGPGVZCOY-HAESHZTISA-N
Molecular Weight 548.811 g/mol
SMILES OC[C@]1([C@@]2(CC[C@]34[C@@]([C@]2(CCC1)C)(CC[C@](C4)([C@](C3)(COC(c1ccccc1)(c1ccccc1)c1ccccc1)[H])[H])[H])[H])C
SPLASH splash10-0006-0190000000-1b23659d67d03265ec60
Source of Spectrum B-40-472-3
Wiley ID 1405560