John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=ACjdKFA9Vwf SpectraBase Spectrum ID=J5sUu04niBE

(accessed ).
4,8,10-tetradecatrien-3-one, 12-ethyl-14-[4-hydroxy-8-(2-hydroxypropl)-3,5,9-trimethyl-1,7-dioxapiro[5.5]undec-2-yl]-4,6-dimethyl-,[2R-[2.alpha.(4Z,6S*,8E,10E,12S*),3.alpha.,4.alpaha.,5.beta.,6.beta.,[8R*(S*),9R*]]]-
SpectraBase Compound ID ACjdKFA9Vwf
InChI InChI=1S/C33H56O5/c1-9-28(15-13-11-12-14-22(3)18-23(4)30(35)10-2)16-17-31-26(7)32(36)27(8)33(38-31)20-24(5)29(21-37-33)19-25(6)34/h11-13,15,18,22,24-29,31-32,34,36H,9-10,14,16-17,19-21H2,1-8H3/b12-11+,15-13+,23-18-/t22-,24?,25?,26+,27-,28+,29?,31+,32+,33+/m0/s1
InChIKey XMKRSAADRFIDCG-NDISXQFTSA-N
Mol Weight 532.8 g/mol
Molecular Formula C33H56O5
Exact Mass 532.412775 g/mol

Mass Spectrum (MS)

Mass Spectrum (MS)

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SpectraBase Spectrum ID J5sUu04niBE
Name 4,8,10-tetradecatrien-3-one, 12-ethyl-14-[4-hydroxy-8-(2-hydroxypropl)-3,5,9-trimethyl-1,7-dioxapiro[5.5]undec-2-yl]-4,6-dimethyl-,[2R-[2.alpha.(4Z,6S*,8E,10E,12S*),3.alpha.,4.alpaha.,5.beta.,6.beta.,[8R*(S*),9R*]]]-
Alternate Name(s) (4Z,6S,8E,10E,12S)-12-ethyl-14-[(2R,3S,4R,5S,6R)-4-hydroxy-9-(2-hydroxypropyl)-3,5,10-trimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-4,6-dimethyl-4,8,10-tetradecatrien-3-one 4,8,10-Tetradecatrien-3-one, 12-ethyl-14-[4-hydroxy-8-(2-hydroxypropl)-3,5,9-trimethyl-1,7-dioxapiro[5.5]undec-2-yl]-4,6-dimethyl-, [2R-[2.alpha.(4Z,6S*,8E,10E,12S*),3.alpha.,4.alpha.,5.beta.,6.beta., [8R*(S*),9R*]]]-
CAS Registry Number 104335-90-2
Classification Ketals
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Formula C33H56O5
InChI InChI=1S/C33H56O5/c1-9-28(15-13-11-12-14-22(3)18-23(4)30(35)10-2)16-17-31-26(7)32(36)27(8)33(38-31)20-24(5)29(21-37-33)19-25(6)34/h11-13,15,18,22,24-29,31-32,34,36H,9-10,14,16-17,19-21H2,1-8H3/b12-11+,15-13+,23-18-/t22-,24?,25?,26+,27-,28+,29?,31+,32+,33+/m0/s1
InChIKey XMKRSAADRFIDCG-NDISXQFTSA-N
SPLASH splash10-004r-0900000000-27fd3bd22515902fc916
Source of Spectrum J-51-4271-24
SpectraBase Batch ID H2qKTGq1WYN