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1H-Naphth[2',1':4,5]indeno[2,1-b]furan, cyanamide deriv.
SpectraBase Compound ID FAO8Lz79gPu
InChI InChI=1S/C28H46N2O/c1-18(16-30-17-29)8-11-24-19(2)26-25(31-24)15-23-21-10-9-20-7-5-6-13-27(20,3)22(21)12-14-28(23,26)4/h18-26,30H,5-16H2,1-4H3/t18-,19-,20-,21?,22?,23?,24-,25+,26+,27+,28+/m1/s1
InChIKey UTZQNVGEAVFSQZ-KTJWAJJDSA-N
Mol Weight 426.7 g/mol
Molecular Formula C28H46N2O
Exact Mass 426.361014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JJRIAJBv4C
Name 1H-Naphth[2',1':4,5]indeno[2,1-b]furan, cyanamide deriv.
CAS Registry Number 111944-69-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46N2O
InChI InChI=1S/C28H46N2O/c1-18(16-30-17-29)8-11-24-19(2)26-25(31-24)15-23-21-10-9-20-7-5-6-13-27(20,3)22(21)12-14-28(23,26)4/h18-26,30H,5-16H2,1-4H3/t18-,19-,20-,21?,22?,23?,24-,25+,26+,27+,28+/m1/s1
InChIKey UTZQNVGEAVFSQZ-KTJWAJJDSA-N
Molecular Weight 426.689 g/mol
SMILES N(C#N)C[C@@](CC[C@@]1([C@]([C@@]2([C@@]3(C(C4CC[C@@]5([C@](C4CC3)(C)CCCC5)[H])C[C@@]2(O1)[H])C)[H])(C)[H])[H])(C)[H]
SPLASH splash10-0a4i-0090300000-cbae10909cf13529c202
Source of Spectrum KC-1987-941-23
Synonyms Cyanamide, [(5.alpha.,22.beta.,25R)-furostan-26-yl]- Furostan, cyanamide deriv. (22R,25R)-5.alpha.-furostan-26-ylcyanamide (5alpha,22R,25R)-furostan-26-ylcyanamide
Wiley ID 1380127