557766-15-1
PHENANTHRO[2,1-F]QUINOLINE-8A(1H)-CARBOXYLIC ACID, 2,3,4,4A,5,6,6A,6B,7,8,9,10,11,12,12A,14,14A,14B-OCTADECAHYDRO-6A,6B,11,11,14B-PENTAMETHYL-3-OXO-, METHYL ESTER, (4AR,6AR,6BS,8AS,12AS,14AS,14BR)-
NamePHENANTHRO[2,1-F]QUINOLINE-8A(1H)-CARBOXYLIC ACID, 2,3,4,4A,5,6,6A,6B,7,8,9,10,11,12,12A,14,14A,14B-OCTADECAHYDRO-6A,6B,11,11,14B-PENTAMETHYL-3-OXO-, METHYL ESTER, (4AR,6AR,6BS,8AS,12AS,14AS,14BR)-
1Identification
【Name】
PHENANTHRO[2,1-F]QUINOLINE-8A(1H)-CARBOXYLIC ACID, 2,3,4,4A,5,6,6A,6B,7,8,9,10,11,12,12A,14,14A,14B-OCTADECAHYDRO-6A,6B,11,11,14B-PENTAMETHYL-3-OXO-, METHYL ESTER, (4AR,6AR,6BS,8AS,12AS,14AS,14BR)-
【CAS】
【MDL】
MFCD22665769
【English Synonyms】
PHENANTHRO[2,1-F]QUINOLINE-8A(1H)-CARBOXYLIC ACID, 2,3,4,4A,5,6,6A,6B,7,8,9,10,11,12,12A,14,14A,14B-OCTADECAHYDRO-6A,6B,11,11,14B-PENTAMETHYL-3-OXO-, METHYL ESTER, (4AR,6AR,6BS,8AS,12AS,14AS,14BR)-
【Formula】
C28 H43 N O3
【MolWeight】
441.652
【Inchi】
InChI=1S/C28H43NO3/c1-24(2)13-15-28(23(31)32-6)16-14-26(4)18(19(28)17-24)7-8-20-25(3)11-10-22(30)29-21(25)9-12-27(20,26)5/h7,19-21H,8-17H2,1-6H3,(H,29,30)/t19-,20+,21+,25+,26+,27+,28-/m0/s1
【InChIKey】
InChIKey=NACWCFADSOSVKU-HAWBCONWSA-N
【SMILES】
CC1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)N5)C)C)[C@@H]2C1)C)C(=O)OC)C
【MOL File】
PHENANTHRO[2,1-F]QUI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PHENANTHRO[2,1-F]QUINOLINE-8A(1H)-CARBOXYLIC ACID, 2,3,4,4A,5,6,6A,6B,7,8,9,10,11,12,12A,14,14A,14B-OCTADECAHYDRO-6A,6B,11,11,14B-PENTAMETHYL-3-OXO-, METHYL ESTER, (4AR,6AR,6BS,8AS,12AS,14AS,14BR)-.cml