Chem
J-GLOBAL ID:200907057511566853
Nikkaji number:J294.466I
Hopane-29-acetate
ドリオクラッシルアセタート
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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:
C32 H54 O2
Molecular formula furigana:
C32-H54-O2
Molecular weight:
470.782
InChI:
InChI=1S/C32H54O2/c1-21(20-34-22(2)33)23-12-17-29(5)24(23)13-18-31(7)26(29)10-11-27-30(6)16-9-15-28(3,4)25(30)14-19-32(27,31)8/h21,23-27H,9-20H2,1-8H3/t21-,23-,24+,25+,26-,27-,29+,30+,31-,32-/m1/s1
InChI key:
QSIMBUYUBYRBSU-ATMLUHCZSA-N
SMILES:
C[C@H](COC(=O)C)[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 (4):
(22S)-ホパン-29-オールアセタート
酢酸[(22S)-A′-ネオガンマセラン]-29-イル
(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 アセタート
(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 acetate
Other name (5):
Dryocrassyl acetate
ドリオクラッシルアセタート
(22S)-Hopan-29-ol acetate
Acetic acid [(22S)-A′-neogammaceran]-29-yl ester
Hopane-29-acetate
CAS registry number:
58193-25-2
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