Chem
J-GLOBAL ID：200907055173879724   Nikkaji number：J18.339C

Microlenin

ミクロレニン
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： C29H34O7
Molecular formula furigana： C29-H34-O7
Molecular weight： 494.584
InChI： InChI=1S/C29H34O7/c1-12-7-19-23(24(32)27(4)17(12)5-6-20(27)30)29(26(34)36-19)10-15-9-21(31)28(29)11-16-14(3)25(33)35-18(16)8-13(2)22(15)28/h5-6,12-13,15-19,22-24,32H,3,7-11H2,1-2,4H3/t12-,13-,15-,16-,17+,18-,19-,22-,23-,24+,27+,28-,29-/m1/s1
InChI key： DYQPBOQOSSSYTE-QDFFCYFNSA-N
SMILES： C[C@@H]1C[C@H]2OC(=O)[C@@]3(C[C@H]4CC(=O)[C@]53C[C@H]3[C@@H](C[C@@H](C)[C@H]45)OC(=O)C3=C)[C@H]2[C@H](O)[C@@]2(C)[C@H]1C=CC2=O
Systematic name  (3)：
  • (3S,3aS,3′aR,4S,4aR,7aR,8R,9aR)-3′aα,4,4′,4a,6′,7′,7a,7′aα,8,8′,9,9′,9a,9′aα-テトラデカヒドロ-4-ヒドロキシ-4a,8,8′α-トリメチル-3′-メチレンスピロ[アズレノ[6,5-b]フラン-3(2H),5′-[5H-4aβ,7β]エタノアズレノ[6,5-b]フラン]-2,2′,5,11′(3′H,3aH)-テトラオン
  • (1'R,3S,3'R,3aS,4S,4aR,7'R,7aR,8R,9'R,9aR,10'R,11'S)-4-ヒドロキシ-4a,8,9'-トリメチル-4'-メチリデン-3a,4,4a,5,7a,8,9,9a-オクタヒドロ-2H-6'-オキサスピロ[アズレノ[6,5-b]フラン-3,13'-テトラシクロ[9.2.2.01,10.03,7]ペンタデカン]-2,5,5',14'-テトラオン
  • (1'R,3S,3'R,3aS,4S,4aR,7'R,7aR,8R,9'R,9aR,10'R,11'S)-4-hydroxy-4a,8,9'-trimethyl-4'-methylidene-3a,4,4a,5,7a,8,9,9a-octahydro-2H-6'-oxaspiro[azuleno[6,5-b]furan-3,13'-tetracyclo[9.2.2.01,10.03,7]pentadecane]-2,5,5',14'-tetrone
Other name (3)：
  • ミクロレニン
  • Microlenin
  • (3S,3aS,3′aR,4S,4aR,7aR,8R,9aR)-3′aα,4,4′,4a,6′,7′,7a,7′aα,8,8′,9,9′,9a,9′aα-Tetradecahydro-4-hydroxy-4a,8,8′α-trimethyl-3′-methylenespiro[azuleno[6,5-b]furan-3(2H),5′-[5H-4aβ,7β]ethanoazuleno[6,5-b]furan]-2,2′,5,11′(3′H,3aH)-tetraone
CAS registry number： 60622-41-5
KEGG COMPOUND： C09510
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