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3,4-Diformyloxy-5-cholestene
SpectraBase Compound ID Lp3HblykIbX
InChI InChI=1S/C29H46O4/c1-19(2)7-6-8-20(3)22-11-12-23-21-9-10-25-27(33-18-31)26(32-17-30)14-16-29(25,5)24(21)13-15-28(22,23)4/h10,17-24,26-27H,6-9,11-16H2,1-5H3/t20-,21+,22-,23+,24+,26?,27?,28-,29-/m1/s1
InChIKey MRYNDRDZPJAZRF-SCOCTSMYSA-N
Mol Weight 458.7 g/mol
Molecular Formula C29H46O4
Exact Mass 458.33961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K8qrFWDrNQY
Name 3,4-Diformyloxy-5-cholestene
Alternate Name(s) 3-(formyloxy)cholest-5-en-4-yl formate
Comments Less than 3 mono-isotopic peaks
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Formula C29H46O4
InChI InChI=1S/C29H46O4/c1-19(2)7-6-8-20(3)22-11-12-23-21-9-10-25-27(33-18-31)26(32-17-30)14-16-29(25,5)24(21)13-15-28(22,23)4/h10,17-24,26-27H,6-9,11-16H2,1-5H3/t20-,21+,22-,23+,24+,26?,27?,28-,29-/m1/s1
InChIKey MRYNDRDZPJAZRF-SCOCTSMYSA-N
Molecular Weight 458.683 g/mol
SMILES [C@]12(C(=CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]23[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])C(OC=O)C(CC1)OC=O)C
SPLASH splash10-03di-0000900000-1e1101de0c0659eef63d
Source of Spectrum SK-25-440-7
Wiley ID 866537