Chem
J-GLOBAL ID：200907051421638067   Nikkaji number：J1.953.898B

(22S)-Hopane-29-ol formate

(22S)-ホパン-29-オールホルマート
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： C31H52O2
Molecular formula furigana： C31-H52-O2
Molecular weight： 456.755
InChI： InChI=1S/C31H52O2/c1-21(19-33-20-32)22-11-16-28(4)23(22)12-17-30(6)25(28)9-10-26-29(5)15-8-14-27(2,3)24(29)13-18-31(26,30)7/h20-26H,8-19H2,1-7H3/t21-,22-,23+,24+,25-,26-,28+,29+,30-,31-/m1/s1
InChI key： NHIIEDHSWWFLGV-CTUQLNGPSA-N
SMILES： C[C@H](COC=O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C
Systematic name  (3)：
  • (22S)-ホパン-29-オールホルマート
  • (2S)-2-[(3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-ヘキサメチル-イコサヒドロ-1H-シクロペンタ[a]クリセン-3-イル]プロピル ホルマート
  • (2S)-2-[(3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-icosahydro-1H-cyclopenta[a]chrysen-3-yl]propyl formate
Other name (1)：
  • (22S)-Hopane-29-ol formate
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