化学式

CAS号

IUPAC Name

3,6,9,12,19,22,25,28,35,38,41,44,51,54,57,60,67,70,73,76,83,86,89,92-tetracosaoxaheptacyclo[92.2.2.230,33.262,65.013,18.045,50.077,82]dohecta-a(62),1(97),1a(2a),13,15,17,30,32,45,47,49,63,65(99),77,79,81,94(98),95-octadecaene-2,29,34,61,66,93-hexone 3,6,9,12,19,22,25,28,35,38,41,44,51,54,57,60,67,70,73,76,83,86,89,92-tetracosaoxaheptacyclo[92.2.2.230,33.262,65.013,18.045,50.077,82]dohecta-a(62),1(97),1a(2a),13,15,17,30,32,45,47,49,63,65(99),77,79,81,94(98),95-octadecaene-2,29,34,61,66,93-hexone

InChI

InChI=1S/C78H96O30/c79-73-61-13-15-63(16-14-61)75(81)105-57-45-93-33-27-87-39-51-99-69-9-3-4-10-70(69)101-53-41-89-29-35-95-47-59-107-77(83)65-21-23-66(24-22-65)78(84)108-60-48-96-36-30-90-42-54-102-72-12-6-5-11-71(72)100-52-40-88-28-34-94-46-58-106-76(82)64-19-17-62(18-20-64)74(80)104-56-44-92-32-26-86-38-50-98-68-8-2-1-7-67(68)97-49-37-85-25-31-91-43-55-103-73/h1-24H,25-60H2

InChI Key

RUXKDOFNFKWJKW-UHFFFAOYSA-N

Canonical SMILES

C1COCCOC(=O)C2=CC=C(C=C2)C(=O)OCCOCCOCCOC3=CC=CC=C3OCCOCCOCCOC(=O)C4=CC=C(C=C4)C(=O)OCCOCCOCCOC5=CC=CC=C5OCCOCCOCCOC(=O)C6=CC=C(C=C6)C(=O)OCCOCCOCCOC7=CC=CC=C7OCCO1

别名