1H-pyrrolo[1,2-a][1,4,7,10,13,16,19,22,25]nonaazacycloheptacosine-1,7,10,13,16,19,22,25(2H)-octone, 3,6,8,9,11,12,14,15,17,18,20,21,23,24,27,28,29,29a-octadecahydro-4-hydroxy-3-[(4-methoxyphenyl)methyl]-2,6,8,11,14,17,18,20,23-nonamethyl-9-(1-methylethyl)-15-(1-methylpropyl)-12,24-bis(2-methylpropyl)-, (3S,4E,6S,9S,12S,15S,18S,24S,29aS)-

More details:

• Systematic name

  (3S,9S,12S,15S,18S,21S,22E,24S,27S)-23-hydroxy-3,15-diisobutyl-18-isopropyl-24-[(4-methoxyphenyl)methyl]-4,7,9,10,13,16,19,21,25-nonamethyl-12-sec-butyl-1,4,7,10,13,16,19,22,25-nonazabicyclo[25.3.0]triacont-22-ene-2,5,8,11,14,17,20,26-octone

• SMILES

  CCC(C)[C@H]1C(=O)N([C@H](C(=O)N(CC(=O)N([C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](/C(=N\[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)CC(C)C)C)C(C)C)C)C)/O)Cc3ccc(cc3)OC)C)CC(C)C)C)C)C)C

• Std. InChi

  InChI=1S/C53H87N9O10/c1-19-34(8)45-53(71)56(12)36(10)48(66)55(11)30-43(63)57(13)42(28-32(4)5)51(69)62-26-20-21-39(62)49(67)58(14)40(29-37-22-24-38(72-18)25-23-37)46(64)54-35(9)47(65)60(16)44(33(6)7)52(70)59(15)41(27-31(2)3)50(68)61(45)17/h22-25,31-36,39-42,44-45H,19-21,26-30H2,1-18H3,(H,54,64)/t34?,35-,36-,39-,40-,41-,42-,44-,45-/m0/s1

• Std. InChIKey

  CUPJMPGVPHAKED-NJUIQBLCSA-N

• Cite this record

  CSID:21431272, http://www.chemspider.com/Chemical-Structure.21431272.html (accessed 01:26, Jun 30, 2024)