1Identification
【Name】
C95-DOLICHOL
【CAS】
【MDL】
MFCD00133291
【English Synonyms】
【Formula】
C95 H156 O
【MolWeight】
1314.28
【Inchi】
InChI=1S/C95H156O/c1-77(2)39-21-40-78(3)41-22-42-79(4)43-23-44-80(5)45-24-46-81(6)47-25-48-82(7)49-26-50-83(8)51-27-52-84(9)53-28-54-85(10)55-29-56-86(11)57-30-58-87(12)59-31-60-88(13)61-32-62-89(14)63-33-64-90(15)65-34-66-91(16)67-35-68-92(17)69-36-70-93(18)71-37-72-94(19)73-38-74-95(20)75-76-96/h39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,95-96H,21-38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74-76H2,1-20H3/b78-41+,79-43+,80-45+,81-47+,82-49+,83-51+,84-53+,85-55+,86-57+,87-59+,88-61+,89-63+,90-65+,91-67+,92-69+,93-71+,94-73+
【InChIKey】
InChIKey=OTRSDHXDHPEZNS-CQXSFFNNSA-N
【SMILES】
CC(CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCO
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:1
XLogP3:42.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
C95-DOLICHOL.cml