Chem
J-GLOBAL ID:200907024399063597   Nikkaji number:J2.341.082F

(1R)-3α,7β,8α,13α,17α-Pentakis(4-iodobutyl)-2β,18β-bis(3-iodopropyl)-1,2,5,7,12,12,15,17-octamethylcorrin

(1R)-3α,7β,8α,13α,17α-ペンタキス(4-ヨードブチル)-2β,18β-ビス(3-ヨードプロピル)-1,2,5,7,12,12,15,17-オクタメチルコリーン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C53H83I7N4
Molecular formula furigana: C53-H83-I7-N4
Molecular weight: 1664.606
InChI: InChI=1S/C53H83I7N4/c1-36-44-39(22-10-15-29-55)49(3,4)43(62-44)35-42-38(21-9-14-28-54)50(5,25-12-17-31-57)46(61-42)37(2)45-40(23-11-16-30-56)52(7,27-20-34-60)53(8,64-45)48-41(24-19-33-59)51(6,47(36)63-48)26-13-18-32-58/h35,38-41,48,63H,9-34H2,1-8H3/b43-35-,46-37?,47-36-/t38-,39-,40-,41+,48?,50+,51-,52+,53+/m1/s1
InChI key: NJABWIBOLVEOAE-TTWWMWIQSA-N
SMILES: C/C/1=C\2/NC([C@H](CCCI)[C@@]2(C)CCCCI)[C@]2(C)N=C([C@@H](CCCCI)[C@]2(C)CCCI)C(=C2N=C(/C=C/3\N=C1[C@@H](CCCCI)C3(C)C)[C@@H](CCCCI)[C@]2(C)CCCCI)C
Systematic name  (3):
  • (1R)-3α,7β,8α,13α,17α-ペンタキス(4-ヨードブチル)-2β,18β-ビス(3-ヨードプロピル)-1,2,5,7,12,12,15,17-オクタメチルコリーン
  • (1R,3R,4R,5Z,8S,10Z,13S,14S,18S,19S)-4,8,13,14,18-ペンタキス(4-ヨードブチル)-3,19-ビス(3-ヨードプロピル)-1,4,6,9,9,14,16,19-オクタメチル-20,21,22,23-テトラアザペンタシクロ[15.2.1.12,5.17,10.112,15]トリコサ-5,7(22),10,12(21),15,17(20)-ヘキサエン
  • (1R,3R,4R,5Z,8S,10Z,13S,14S,18S,19S)-4,8,13,14,18-pentakis(4-iodobutyl)-3,19-bis(3-iodopropyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-5,7(22),10,12(21),15,17(20)-hexaene
Other name (1):
  • (1R)-3α,7β,8α,13α,17α-Pentakis(4-iodobutyl)-2β,18β-bis(3-iodopropyl)-1,2,5,7,12,12,15,17-octamethylcorrin
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