Chem
J-GLOBAL ID:200907014914884412
Nikkaji number:J1.945.362F
(5β,8S,9β,10α,12S)-Atisane-16β-ol
(5β,8S,9β,10α,12S)-アチサン-16β-オール
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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:
C20 H34 O
Molecular formula furigana:
C20-H34-O
Molecular weight:
290.491
InChI:
InChI=1S/C20H34O/c1-17(2)8-5-9-18(3)15(17)7-11-20-10-6-14(12-16(18)20)19(4,21)13-20/h14-16,21H,5-13H2,1-4H3/t14-,15+,16-,18+,19-,20+/m0/s1
InChI key:
FUZRTCOJTDNSGD-YDMLNEHTSA-N
SMILES:
CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CC[C@@H](C[C@@H]21)[C@@](C)(O)C3
Systematic name (3):
(5β,8S,9β,10α,12S)-アチサン-16β-オール
(1S,4R,9R,10R,12S,13S)-5,5,9,13-テトラメチルテトラシクロ[10.2.2.01,10 .04,9 ]ヘキサデカン-13-オール
(1S,4R,9R,10R,12S,13S)-5,5,9,13-tetramethyltetracyclo[10.2.2.01,10 .04,9 ]hexadecan-13-ol
Other name (1):
(5β,8S,9β,10α,12S)-Atisane-16β-ol
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