547-17-1
HELENIEN
Name
HELENIEN
Formula
C72 H116 O4
MolWeight
1045.7
1Identification
【Name】
HELENIEN
【CAS】
【MDL】
MFCD00198032
【English Synonyms】
【Formula】
C72 H116 O4
【MolWeight】
1045.7
【Inchi】
InChI=1S/C72H116O4/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-49-69(73)75-65-55-63(7)67(71(9,10)57-65)53-51-61(5)47-41-45-59(3)43-39-40-44-60(4)46-42-48-62(6)52-54-68-64(8)56-66(58-72(68,11)12)76-70(74)50-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h39-48,51-55,65-67H,13-38,49-50,56-58H2,1-12H3/b40-39+,45-41+,46-42+,53-51+,54-52+,59-43+,60-44+,61-47+,62-48+/t65-,66+,67-/m0/s1
【InChIKey】
InChIKey=YHGJHDJZIOYZIR-URPSFYETSA-N
【SMILES】
CCCCCCCCCCCCCCCC(=O)O[C@@H]1CC(=C(C(C1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(=C[C@@H](CC2(C)C)OC(=O)CCCCCCCCCCCCCCC)C)/C)/C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:30.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
HELENIEN.cml
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Catalog No:JV00505 25G
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Tetrahedron Scientific Inc
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Business Type:Lab/Research institutions
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Boc Sciences
Catalog No:547-17-1 up to kgs
Country/Region:United States
Business Type:Trading Company
https://www.bocsci.com/
Kingston Chemistry
Catalog No:KST-A6453 1G
Country/Region:United States
Business Type:Others
http://www.kingstonchem.com
Ochem Incorporation
Catalog No:547H171 0.05G
Catalog No:547H171 0.1G
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