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9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol, dimethyl phosphate, (3.beta.,5Z,7E,22E)-
SpectraBase Compound ID IU2hFXh31Vm
InChI InChI=1S/C30H49O4P/c1-21(2)22(3)11-12-24(5)28-17-18-29-25(10-9-19-30(28,29)6)14-15-26-20-27(16-13-23(26)4)34-35(31,32-7)33-8/h11-12,14-15,21-22,24,27-29H,4,9-10,13,16-20H2,1-3,5-8H3/b12-11+,25-14+,26-15-/t22-,24+,27+,28+,29-,30+/m0/s1
InChIKey UQYJZLHNPFWRPF-HQPGNJOVSA-N
Mol Weight 504.7 g/mol
Molecular Formula C30H49O4P
Exact Mass 504.336847 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FY1rNaUOxdW
Name 9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol, dimethyl phosphate, (3.beta.,5Z,7E,22E)-
CAS Registry Number 84284-87-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H49O4P
InChI InChI=1S/C30H49O4P/c1-21(2)22(3)11-12-24(5)28-17-18-29-25(10-9-19-30(28,29)6)14-15-26-20-27(16-13-23(26)4)34-35(31,32-7)33-8/h11-12,14-15,21-22,24,27-29H,4,9-10,13,16-20H2,1-3,5-8H3/b12-11+,25-14+,26-15-/t22-,24+,27+,28+,29-,30+/m0/s1
InChIKey UQYJZLHNPFWRPF-HQPGNJOVSA-N
Molecular Weight 504.692 g/mol
SMILES [C@]12([C@](\C(=C\C=C/3C(CC[C@@](OP(=O)(OC)OC)(C3)[H])=C)CCC1)(CC[C@@]2([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])[H])[H])C
SPLASH splash10-1000-6911020000-7e1763cefbc933e90e85
Source of Spectrum KO-10-75-1
Synonyms Dimethyl (3R,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-yl phosphate Vitamin D2 dimethylphosphate
Wiley ID 1399627