1Identification
【Name】
DOLICHOL C115
【CAS】
【MDL】
MFCD00133287
【English Synonyms】
【Formula】
C115 H188 O
【MolWeight】
1586.75
【Inchi】
InChI=1S/C115H188O/c1-93(2)47-25-48-94(3)49-26-50-95(4)51-27-52-96(5)53-28-54-97(6)55-29-56-98(7)57-30-58-99(8)59-31-60-100(9)61-32-62-101(10)63-33-64-102(11)65-34-66-103(12)67-35-68-104(13)69-36-70-105(14)71-37-72-106(15)73-38-74-107(16)75-39-76-108(17)77-40-78-109(18)79-41-80-110(19)81-42-82-111(20)83-43-84-112(21)85-44-86-113(22)87-45-88-114(23)89-46-90-115(24)91-92-116/h47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,115-116H,25-46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90-92H2,1-24H3/b94-49+,95-51+,96-53+,97-55+,98-57+,99-59+,100-61+,101-63+,102-65+,103-67+,104-69+,105-71+,106-73+,107-75+,108-77+,109-79+,110-81+,111-83+,112-85+,113-87+,114-89+
【InChIKey】
InChIKey=BGCTUBUZOXZQFP-AMVOYCBPSA-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)/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
XLogP3:51.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DOLICHOL C115.cml