Chem
J-GLOBAL ID：201007079050406675   Nikkaji number：J2.785.201G

(3S)-3α-Hydroxy-3aα-methyl-10aα,11aα-ethano-1,2,3,3a,4,7,8,9,10,10a,11a,11bβ-dodecahydro-11-oxa-11H-cyclopenta[a]anthracene-7-one ethylene acetal

(3S)-3α-ヒドロキシ-3aα-メチル-10aα,11aα-エタノ-1,2,3,3a,4,7,8,9,10,10a,11a,11bβ-ドデカヒドロ-11-オキサ-11H-シクロペンタ[a]アントラセン-7-オンエチレンアセタール
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： C21H28O4
Molecular formula furigana： C21-H28-O4
Molecular weight： 344.451
InChI： InChI=1S/C21H28O4/c1-18-8-5-14-13-16-19(6-2-7-21(16)23-11-12-24-21)9-10-20(14,25-19)15(18)3-4-17(18)22/h5,13,15,17,22H,2-4,6-12H2,1H3/t15-,17+,18+,19+,20-/m1/s1
InChI key： PHDXWLRHWOBIFU-QDGKJQRMSA-N
SMILES： C[C@]12CC=C3C=C4[C@@]5(CC[C@]3(O5)[C@@H]1CC[C@@H]2O)CCCC14OCCO1
Systematic name  (3)：
  • (3S)-3α-ヒドロキシ-3aα-メチル-10aα,11aα-エタノ-1,2,3,3a,4,7,8,9,10,10a,11a,11bβ-ドデカヒドロ-11-オキサ-11H-シクロペンタ[a]アントラセン-7-オンエチレンアセタール
  • (1'S,2'R,5'S,6'S,16'S)-6'-メチル-19'-オキサスピロ[1,3-ジオキソラン-2,12'-ペンタシクロ[14.2.1.01,9.02,6.011,16]ノナデカン]-8',10'-ジエン-5'-オール
  • (1'S,2'R,5'S,6'S,16'S)-6'-methyl-19'-oxaspiro[1,3-dioxolane-2,12'-pentacyclo[14.2.1.01,9.02,6.011,16]nonadecane]-8',10'-dien-5'-ol
Other name (1)：
  • (3S)-3α-Hydroxy-3aα-methyl-10aα,11aα-ethano-1,2,3,3a,4,7,8,9,10,10a,11a,11bβ-dodecahydro-11-oxa-11H-cyclopenta[a]anthracene-7-one ethylene acetal
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