Chem
J-GLOBAL ID:200907030666523659
Nikkaji number:J1.734.085I
[2,2-Dimethyl-4β-[2,2-dimethyl-5α-[4-(phenylsulfonyl)-8-(2-hexyl-1,3-dioxolane-4-yl)-1-octenyl]-1,3-dioxolane-4β-yl]-5-[(benzyloxy)methyl]-1,3-dioxane-5β-yl]carbamic acid tert-butyl ester
[2,2-ジメチル-4β-[2,2-ジメチル-5α-[4-(フェニルスルホニル)-8-(2-ヘキシル-1,3-ジオキソラン-4-イル)-1-オクテニル]-1,3-ジオキソラン-4β-イル]-5-[(ベンジルオキシ)メチル]-1,3-ジオキサン-5β-イル]カルバミド酸tert-ブチル
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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:
C47 H71 NO11 S
Molecular formula furigana:
C47-H71-N-O11-S
Molecular weight:
858.140
InChI:
InChI=1S/C47H71NO11S/c1-9-10-11-18-30-40-53-32-36(55-40)24-19-20-27-38(60(50,51)37-25-16-13-17-26-37)28-21-29-39-41(57-46(7,8)56-39)42-47(34-54-45(5,6)58-42,48-43(49)59-44(2,3)4)33-52-31-35-22-14-12-15-23-35/h12-17,21-23,25-26,29,36,38-42H,9-11,18-20,24,27-28,30-34H2,1-8H3,(H,48,49)/t36?,38?,39-,40?,41+,42-,47-/m0/s1
InChI key:
YSHGIGCJXAJRNG-RQVPIVKDSA-N
SMILES:
CCCCCCC1OCC(CCCCC(CC=C[C@@H]2OC(C)(C)O[C@H]2[C@@H]2OC(C)(C)OC[C@]2(COCc2ccccc2)NC(=O)OC(C)(C)C)S(=O)(=O)c2ccccc2)O1
Systematic name (3):
[2,2-ジメチル-4β-[2,2-ジメチル-5α-[4-(フェニルスルホニル)-8-(2-ヘキシル-1,3-ジオキソラン-4-イル)-1-オクテニル]-1,3-ジオキソラン-4β-イル]-5-[(ベンジルオキシ)メチル]-1,3-ジオキサン-5β-イル]カルバミド酸tert-ブチル
tert-ブチル N-[(4R,5S)-4-[(4R,5S)-5-[4-(ベンゼンスルホニル)-8-(2-ヘキシル-1,3-ジオキソラン-4-イル)オクタ-1-エン-1-イル]-2,2-ジメチル-1,3-ジオキソラン-4-イル]-5-[(ベンジルオキシ)メチル]-2,2-ジメチル-1,3-ジオキサン-5-イル]カルバマート
tert-butyl N-[(4R,5S)-4-[(4R,5S)-5-[4-(benzenesulfonyl)-8-(2-hexyl-1,3-dioxolan-4-yl)oct-1-en-1-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(benzyloxy)methyl]-2,2-dimethyl-1,3-dioxan-5-yl]carbamate
Other name (1):
[2,2-Dimethyl-4β-[2,2-dimethyl-5α-[4-(phenylsulfonyl)-8-(2-hexyl-1,3-dioxolane-4-yl)-1-octenyl]-1,3-dioxolane-4β-yl]-5-[(benzyloxy)methyl]-1,3-dioxane-5β-yl]carbamic acid tert-butyl ester
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