Chem
J-GLOBAL ID:200907006672906030   Nikkaji number:J1.863.284E

Yardenone A

ヤルデノンA
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: C30H48O6
Molecular formula furigana: C30-H48-O6
Molecular weight: 504.708
InChI: InChI=1S/C30H48O6/c1-18-9-10-22-28(7,15-12-21(33)25(2,3)34-22)30(18)17-19(31)24(36-30)29(8)16-13-23-27(29,6)14-11-20(32)26(4,5)35-23/h18-19,22-24,31H,9-17H2,1-8H3/t18-,19-,22-,23-,24-,27+,28+,29+,30-/m0/s1
InChI key: TXZQYJVCWLFJOA-ZXIRBURDSA-N
SMILES: C[C@H]1CC[C@@H]2OC(C)(C)C(=O)CC[C@@]2(C)[C@@]21C[C@H](O)[C@H](O2)[C@@]1(C)CC[C@@H]2OC(C)(C)C(=O)CC[C@@]12C
Systematic name  (3):
  • (5aR,6S)-4,5,5a,8,9,9aβ-ヘキサヒドロ-4′α-ヒドロキシ-2,2,5aα,7β-テトラメチル-5′β-[[(5aS,8aβ)-2,2,5aα,6-テトラメチル-3-オキソオクタヒドロ-2H-シクロペンタ[b]オキセピン]-6β-イル]スピロ[1-ベンゾオキセピン-6(7H),2′-オキソラン]-3(2H)-オン
  • (4'S,5'R,5aR,6S,7S,9aS)-5'-[(5aS,6S,8aS)-2,2,5a,6-テトラメチル-3-オキソ-オクタヒドロ-2H-シクロペンタ[b]オキセピン-6-イル]-4'-ヒドロキシ-2,2,5a,7-テトラメチル-オクタヒドロ-2H-スピロ[1-ベンゾオキセピン-6,2'-オキソラン]-3-オン
  • (4'S,5'R,5aR,6S,7S,9aS)-5'-[(5aS,6S,8aS)-2,2,5a,6-tetramethyl-3-oxo-octahydro-2H-cyclopenta[b]oxepin-6-yl]-4'-hydroxy-2,2,5a,7-tetramethyl-octahydro-2H-spiro[1-benzoxepine-6,2'-oxolan]-3-one
Other name (3):
  • (5aR,6S)-4,5,5a,8,9,9aβ-Hexahydro-4′α-hydroxy-2,2,5aα,7β-tetramethyl-5′β-[[(5aS,8aβ)-2,2,5aα,6-tetramethyl-3-oxooctahydro-2H-cyclopenta[b]oxepin]-6β-yl]spiro[1-benzoxepin-6(7H),2′-oxolane]-3(2H)-one
  • ヤルデノンA
  • Yardenone A
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