Chem
J-GLOBAL ID：200907071500077233   Nikkaji number：J2.104.543H

Kunzeanone C

クンゼアノンC
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： C30H46O4
Molecular formula furigana： C30-H46-O4
Molecular weight： 470.694
InChI： InChI=1S/C30H46O4/c1-16(2)15-18-20-22(31)27(5,6)25(32)28(7,8)23(20)33-24-21-17(26(21,3)4)11-14-30(10)19(34-30)12-13-29(18,24)9/h16-19,21,24H,11-15H2,1-10H3/t17-,18-,19+,21+,24-,29-,30+/m0/s1
InChI key： WXIXIBHMUBGXNO-AFOXPINCSA-N
SMILES： CC(C)C[C@H]1C2=C(O[C@H]3[C@H]4[C@H](CC[C@@]5(C)O[C@@H]5CC[C@@]13C)C4(C)C)C(C)(C)C(=O)C(C)(C)C2=O
Systematic name  (3)：
  • (5aS,6S,7S,10R,11R,13aS,14R)-2,2,4,4,10,13a-ヘキサメチル-6,7-イソプロピリデン-10,11-エポキシ-14-イソブチル-1,2,3,4,5a,6,7,8,9,10,11,12,13,13a,14-ペンタデカヒドロ-5-オキサシクロデカ[b]ナフタレン-1,3-ジオン
  • (1S,2S,4S,7R,9R,12S,13R)-3,3,7,12,16,16,18,18-オクタメチル-13-(2-メチルプロピル)-8,20-ジオキサペンタシクロ[10.8.0.02,4.07,9.014,19]イコサ-14(19)-エン-15,17-ジオン
  • (1S,2S,4S,7R,9R,12S,13R)-3,3,7,12,16,16,18,18-octamethyl-13-(2-methylpropyl)-8,20-dioxapentacyclo[10.8.0.02,4.07,9.014,19]icos-14(19)-ene-15,17-dione
Other name (3)：
  • (5aS,6S,7S,10R,11R,13aS,14R)-2,2,4,4,10,13a-Hexamethyl-6,7-isopropylidene-10,11-epoxy-14-isobutyl-1,2,3,4,5a,6,7,8,9,10,11,12,13,13a,14-pentadecahydro-5-oxacyclodeca[b]naphthalene-1,3-dione
  • クンゼアノンC
  • Kunzeanone C
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