Chem
J-GLOBAL ID:200907025245922526   Nikkaji number:J14.803B

Swietenolide

スウィエテノリド
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: C27H34O8
Molecular formula furigana: C27-H34-O8
Molecular weight: 486.561
InChI: InChI=1S/C27H34O8/c1-25(2)20(19(29)24(32)33-5)27(4)16-6-8-26(3)17(14(16)10-15(21(25)30)22(27)31)11-18(28)35-23(26)13-7-9-34-12-13/h7,9,12,15-16,19-21,23,29-30H,6,8,10-11H2,1-5H3/t15-,16-,19+,20-,21+,23-,26+,27+/m0/s1
InChI key: CWIUUACMAKLANV-UFQDEJKPSA-N
SMILES: COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](O)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O
Systematic name  (3):
  • (αR,4R)-4-(3-フリル)-1,4,4a,5,6,6aβ,7,8,9,10,11,12-ドデカヒドロ-α,10α-ジヒドロキシ-4aβ,7,9,9-テトラメチル-2,13-ジオキソ-7β,11β-メタノ-2H-シクロオクタ[f][2]ベンゾピラン-8β-酢酸メチル
  • メチル (2R)-2-[(1R,2S,5R,6R,13S,14R,16S)-6-(フラン-3-イル)-14-ヒドロキシ-1,5,15,15-テトラメチル-8,17-ジオキソ-7-オキサテトラシクロ[11.3.1.02,11.05,10]ヘプタデカ-10-エン-16-イル]-2-ヒドロキシアセタート
  • methyl (2R)-2-[(1R,2S,5R,6R,13S,14R,16S)-6-(furan-3-yl)-14-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]-2-hydroxyacetate
Other name (4):
  • スウィエテノリド
  • Swietenolide
  • (αR,4R)-4-(3-Furyl)-1,4,4a,5,6,6aβ,7,8,9,10,11,12-dodecahydro-α,10α-dihydroxy-4aβ,7,9,9-tetramethyl-2,13-dioxo-7β,11β-methano-2H-cycloocta[f][2]benzopyran-8β-acetic acid methyl ester
  • スウィーテノリド
CAS registry number: 3776-48-5
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