Chem
J-GLOBAL ID:200907002007848440   Nikkaji number:J129.889E

Dihydrocyclobaleabuxine

ジヒドロシクロバレアブキシン
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: C27H48N2O2
Molecular formula furigana: C27-H48-N2-O2
Molecular weight: 432.693
InChI: InChI=1S/C27H48N2O2/c1-17(28-5)22-18(31)14-25(4)20-9-8-19-23(2,16-30)21(29(6)7)10-11-26(19)15-27(20,26)13-12-24(22,25)3/h17-22,28,30-31H,8-16H2,1-7H3/t17-,18+,19-,20-,21-,22-,23+,24+,25-,26+,27-/m0/s1
InChI key: IVHBHIXVARYMIL-BAGAXAAKSA-N
SMILES: CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](N(C)C)[C@]4(C)CO
Systematic name  (3):
  • (20S)-3β-(ジメチルアミノ)-16α-ヒドロキシ-4,14-ジメチル-20-(メチルアミノ)-9β,19-シクロ-5α-プレグナン-4β-メタノール
  • (1S,3R,6S,7R,8R,11S,12S,14R,15S,16R)-6-(ジメチルアミノ)-7-(ヒドロキシメチル)-7,12,16-トリメチル-15-[(1S)-1-(メチルアミノ)エチル]ペンタシクロ[9.7.0.01,3.03,8.012,16]オクタデカン-14-オール
  • (1S,3R,6S,7R,8R,11S,12S,14R,15S,16R)-6-(dimethylamino)-7-(hydroxymethyl)-7,12,16-trimethyl-15-[(1S)-1-(methylamino)ethyl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-ol
Other name (5):
  • ジヒドロシクロバレアブキシン
  • 6,7-Dihydrocyclomicrophylline B
  • Dihydrocyclobaleabuxine
  • 6,7-ジヒドロシクロミクロフィリンB
  • (20S)-3β-(Dimethylamino)-16α-hydroxy-4,14-dimethyl-20-(methylamino)-9β,19-cyclo-5α-pregnane-4β-methanol
CAS registry number: 3296-18-2
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