Chem
J-GLOBAL ID:200907049571963530   Nikkaji number:J1.673.873E

(4aR)-3-Isopropyl-4-formyl-7β-methyl-8a-[4-O-(2-methyl-2-propenyl)-2,6-dideoxy-β-D-ribo-hexopyranosyloxymethyl]-1,4-methano-1,3a,4,4aβ,5,6,7,7aα,8,8a-decahydro-s-indacene-3a-carboxylic acid α-diazoniobenzhydryl ester

(4aR)-3-イソプロピル-4-ホルミル-7β-メチル-8a-[4-O-(2-メチル-2-プロペニル)-2,6-ジデオキシ-β-D-ribo-ヘキソピラノシルオキシメチル]-1,4-メタノ-1,3a,4,4aβ,5,6,7,7aα,8,8a-デカヒドロ-s-インダセン-3a-カルボン酸α-ジアゾニオベンズヒドリル
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: C43H53N[N+]O7
Molecular formula furigana: C43-H53-N2-O7
Molecular weight: 709.903
InChI: InChI=1S/C43H53N2O7/c1-26(2)23-49-38-29(6)51-37(20-36(38)47)50-25-41-22-33-28(5)17-18-34(33)40(24-46)21-32(41)19-35(27(3)4)42(40,41)39(48)52-43(45-44,30-13-9-7-10-14-30)31-15-11-8-12-16-31/h7-16,19,24,27-29,32-34,36-38,47H,1,17-18,20-23,25H2,2-6H3/q+1/t28-,29-,32?,33-,34-,36+,37-,38-,40?,41?,42?/m1/s1
InChI key: VIRNEIQFXLSTAH-RUFHPCHTSA-N
SMILES: CC(C)C1=CC2CC3(C=O)[C@@H]4CC[C@@H](C)[C@H]4CC2(CO[C@H]2C[C@H](O)[C@H](OCC(=C)C)[C@@H](C)O2)C13C(=O)OC([N+]#N)(c1ccccc1)c1ccccc1
Systematic name  (3):
  • (4aR)-3-イソプロピル-4-ホルミル-7β-メチル-8a-[4-O-(2-メチル-2-プロペニル)-2,6-ジデオキシ-β-D-ribo-ヘキソピラノシルオキシメチル]-1,4-メタノ-1,3a,4,4aβ,5,6,7,7aα,8,8a-デカヒドロ-s-インダセン-3a-カルボン酸α-ジアゾニオベンズヒドリル
  • [(4R,5R,8R)-9-ホルミル-2-({[(2R,4S,5S,6R)-4-ヒドロキシ-6-メチル-5-[(2-メチルプロパ-2-エン-1-イル)オキシ]オキサン-2-イル]オキシ}メチル)-5-メチル-13-(プロパン-2-イル)テトラシクロ[7.4.0.02,11.04,8]トリデカ-12-エン-1-カルボニルオキシ]ジフェニルメタンジアゾニウム
  • [(4R,5R,8R)-9-formyl-2-({[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2-methylprop-2-en-1-yl)oxy]oxan-2-yl]oxy}methyl)-5-methyl-13-(propan-2-yl)tetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carbonyloxy]diphenylmethanediazonium
Other name (1):
  • (4aR)-3-Isopropyl-4-formyl-7β-methyl-8a-[4-O-(2-methyl-2-propenyl)-2,6-dideoxy-β-D-ribo-hexopyranosyloxymethyl]-1,4-methano-1,3a,4,4aβ,5,6,7,7aα,8,8a-decahydro-s-indacene-3a-carboxylic acid α-diazoniobenzhydryl ester
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