Chem
J-GLOBAL ID:200907058897379781
Nikkaji number:J1.068.209F
7′,12′-Dioxylato-6,6′-dimethoxy-2,2′,2′-trimethyltubocuraran-2′-ium
7′,12′-ジオキシラト-6,6′-ジメトキシ-2,2′,2′-トリメチルツボクララン-2′-イウム
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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:
C37 H39 N[N+]O4 [O-]2
Molecular formula furigana:
C37-H39-N2-O6
Molecular weight:
607.728
InChI:
InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p-1/t28-,29+/m0/s1
InChI key:
JFJZZMVDLULRGK-URLMMPGGSA-M
SMILES:
COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc([O-])c(Oc5cc6[C@H](Cc7ccc(Oc(c1[O-])c23)cc7)N(C)CCc6cc5OC)c4
Systematic name (3):
7′,12′-ジオキシラト-6,6′-ジメトキシ-2,2′,2′-トリメチルツボクララン-2′-イウム
(1S,16R)-10,25-ジメトキシ-15,15,30-トリメチル-7,23-ジオキサ-15,30-ジアザヘプタシクロ[22.6.2.23,6 .18,12 .118,22 .027,31 .016,34 ]ヘキサトリアコンタ-3,5,8,10,12(34),18,20,22(33),24(32),25,27(31),35-ドデカエン-15-イウム-9,21-ビス(オラート)
(1S,16R)-10,25-dimethoxy-15,15,30-trimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6 .18,12 .118,22 .027,31 .016,34 ]hexatriaconta-3,5,8,10,12(34),18,20,22(33),24(32),25,27(31),35-dodecaen-15-ium-9,21-bis(olate)
Other name (1):
7′,12′-Dioxylato-6,6′-dimethoxy-2,2′,2′-trimethyltubocuraran-2′-ium
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