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1H-Naphth[2',1':4,5]indeno[2,1-b]furan, furostan-26-oic acid deriv.
SpectraBase Compound ID K6l97XYjDaR
InChI InChI=1S/C27H44O3/c1-16(25(28)29)8-11-22-17(2)24-23(30-22)15-21-19-10-9-18-7-5-6-13-26(18,3)20(19)12-14-27(21,24)4/h16-24H,5-15H2,1-4H3,(H,28,29)/t16-,17-,18-,19-,20+,21+,22-,23+,24+,26+,27+/m1/s1
InChIKey YLOZUOCYUPBNLY-FMICGPEQSA-N
Mol Weight 416.6 g/mol
Molecular Formula C27H44O3
Exact Mass 416.329045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A9k9ngPuZUb
Name 1H-Naphth[2',1':4,5]indeno[2,1-b]furan, furostan-26-oic acid deriv.
Alternate Name(s) Furostan-26-oic acid, (5.alpha.,22.beta.,25R)- (22R,25R)-5.alpha.-furostan-26-oic acid (5alpha,22R,25R)-furostan-26-oic acid
CAS Registry Number 55542-04-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O3
InChI InChI=1S/C27H44O3/c1-16(25(28)29)8-11-22-17(2)24-23(30-22)15-21-19-10-9-18-7-5-6-13-26(18,3)20(19)12-14-27(21,24)4/h16-24H,5-15H2,1-4H3,(H,28,29)/t16-,17-,18-,19-,20+,21+,22-,23+,24+,26+,27+/m1/s1
InChIKey YLOZUOCYUPBNLY-FMICGPEQSA-N
Molecular Weight 416.646 g/mol
SMILES OC([C@@](CC[C@@]1([C@]([C@@]2([C@@]3([C@]([C@@]4(CC[C@@]5([C@]([C@]4(CC3)[H])(C)CCCC5)[H])[H])(C[C@@]2(O1)[H])[H])C)[H])(C)[H])[H])(C)[H])=O
SPLASH splash10-0a4i-0090000000-0b7715685265b30822ad
Source of Spectrum KC-1987-940-19
Wiley ID 1376625