131918-61-1
PARICALCITOL
Name
PARICALCITOL
Formula
C27 H44 O3
MolWeight
416.642
1Identification
【Name】
PARICALCITOL
【CAS】
【MDL】
MFCD08067734
【English Synonyms】
【Formula】
C27 H44 O3
【MolWeight】
416.642
【Inchi】
InChI=1S/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22-,23-,24-,25+,27-/m1/s1
【InChIKey】
InChIKey=BPKAHTKRCLCHEA-UBFJEZKGSA-N
【SMILES】
C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:3
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PARICALCITOL.cml
Quick Release
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