Chem
J-GLOBAL ID：200907082208096792   Nikkaji number：J91.878D

Betaenone B

ベタエノンB
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： C21H36O5
Molecular formula furigana： C21-H36-O5
Molecular weight： 368.514
InChI： InChI=1S/C21H36O5/c1-7-12(2)17-20(5,15(23)8-9-22)16-13(3)10-19(4,25)11-14(16)18(24)21(17,6)26/h12-14,16-17,22,25-26H,7-11H2,1-6H3/t12-,13-,14+,16+,17-,19-,20-,21+/m1/s1
InChI key： PUZNAAVWFXQUDM-HBKHSIGZSA-N
SMILES： CC[C@@H](C)[C@H]1[C@](C)(O)C(=O)[C@H]2C[C@](C)(O)C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)CCO
Systematic name  (3)：
  • (2S,4aα,8aβ)-3,4,4a,5,6,7,8,8a-オクタヒドロ-2,7β-ジヒドロキシ-4α-(3-ヒドロキシ-1-オキソプロピル)-2,4β,5α,7α-テトラメチル-3α-[(R)-1-メチルプロピル]-1(2H)-ナフタレノン
  • (2S,3R,4R,4aS,5R,7R,8aS)-3-[(2R)-ブタン-2-イル]-2,7-ジヒドロキシ-4-(3-ヒドロキシプロパノイル)-2,4,5,7-テトラメチル-デカヒドロナフタレン-1-オン
  • (2S,3R,4R,4aS,5R,7R,8aS)-3-[(2R)-butan-2-yl]-2,7-dihydroxy-4-(3-hydroxypropanoyl)-2,4,5,7-tetramethyl-decahydronaphthalen-1-one
Other name (3)：
  • ベタエノンB
  • Betaenone B
  • (2S,4aα,8aβ)-3,4,4a,5,6,7,8,8a-Octahydro-2,7β-dihydroxy-4α-(3-hydroxy-1-oxopropyl)-2,4β,5α,7α-tetramethyl-3α-[(R)-1-methylpropyl]-1(2H)-naphthalenone
CAS registry number： 85269-23-4
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