Chem
J-GLOBAL ID：200907079509257758   Nikkaji number：J1.602.423F

(3aR)-1-Isopropyl-3aβ,5aα-dimethyl-6β-[2-O,3-O,4-O-tris(methoxymethyl)β-D-xylopyranosyloxy]-8-(methoxymethoxymethyl)-9α-(methoxymethoxy)-2,3,3a,4,5,5a,6,9,10,10aβ-decahydrocyclohepta[e]indene

(3aR)-1-イソプロピル-3aβ,5aα-ジメチル-6β-[2-O,3-O,4-O-トリス(メトキシメチル)β-D-キシロピラノシルオキシ]-8-(メトキシメトキシメチル)-9α-(メトキシメトキシ)-2,3,3a,4,5,5a,6,9,10,10aβ-デカヒドロシクロヘプタ[e]インデン
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： C35H60O12
Molecular formula furigana： C35-H60-O12
Molecular weight： 672.853
InChI： InChI=1S/C35H60O12/c1-23(2)25-10-11-34(3)12-13-35(4)26(30(25)34)15-27(43-19-37-6)24(16-41-18-36-5)14-29(35)47-33-32(46-22-40-9)31(45-21-39-8)28(17-42-33)44-20-38-7/h14,23,26-29,31-33H,10-13,15-22H2,1-9H3/t26-,27-,28-,29+,31+,32-,33+,34-,35-/m1/s1
InChI key： BSOODKRTAWXHNJ-KRKQDPEISA-N
SMILES： COCOCC1=C[C@H](O[C@@H]2OC[C@@H](OCOC)[C@H](OCOC)[C@H]2OCOC)[C@]2(C)CC[C@@]3(C)CCC(=C3[C@H]2C[C@H]1OCOC)C(C)C
Systematic name  (4)：
  • (3aR)-1-イソプロピル-3aβ,5aα-ジメチル-6β-[2-O,3-O,4-O-トリス(メトキシメチル)β-D-キシロピラノシルオキシ]-8-(メトキシメトキシメチル)-9α-(メトキシメトキシ)-2,3,3a,4,5,5a,6,9,10,10aβ-デカヒドロシクロヘプタ[e]インデン
  • (3aR)-1-イソプロピル-3aβ,5aα-ジメチル-6β-[2-O,3-O,4-O-トリス(メトキシメチル)-β-D-キシロピラノシルオキシ]-8-(メトキシメトキシメチル)-9α-(メトキシメトキシ)-2,3,3a,4,5,5a,6,9,10,10aβ-デカヒドロシクロヘプタ[e]インデン
  • (2S,3R,4S,5R)-2-{[(3aR,5aR,6S,9R,10aR)-9-(メトキシメトキシ)-8-[(メトキシメトキシ)メチル]-3a,5a-ジメチル-1-(プロパン-2-イル)-2H,3H,3aH,4H,5H,5aH,6H,9H,10H,10aH-シクロヘプタ[e]インデン-6-イル]オキシ}-3,4,5-トリス(メトキシメトキシ)オキサン
  • (2S,3R,4S,5R)-2-{[(3aR,5aR,6S,9R,10aR)-9-(methoxymethoxy)-8-[(methoxymethoxy)methyl]-3a,5a-dimethyl-1-(propan-2-yl)-2H,3H,3aH,4H,5H,5aH,6H,9H,10H,10aH-cyclohepta[e]inden-6-yl]oxy}-3,4,5-tris(methoxymethoxy)oxane
Other name (2)：
  • (3aR)-1-Isopropyl-3aβ,5aα-dimethyl-6β-[2-O,3-O,4-O-tris(methoxymethyl)β-D-xylopyranosyloxy]-8-(methoxymethoxymethyl)-9α-(methoxymethoxy)-2,3,3a,4,5,5a,6,9,10,10aβ-decahydrocyclohepta[e]indene
  • (3aR)-1-Isopropyl-3aβ,5aα-dimethyl-6β-[2-O,3-O,4-O-tris(methoxymethyl)-β-D-xylopyranosyloxy]-8-(methoxymethoxymethyl)-9α-(methoxymethoxy)-2,3,3a,4,5,5a,6,9,10,10aβ-decahydrocyclohepta[e]indene
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