Chem
J-GLOBAL ID:200907050667252536   Nikkaji number:J765.461H

(4aβ,10aα,11aα)-2α-[2-(Hydroxymethyl)-2-propenyl]-5aβ,14-dimethyl-15β-[(Z)-3,5-hexadienyl]dodecahydro-8α,9β-(epoxybutano)-1,5,10-trioxa-1H-cyclohepta[b]naphthalene-4α,14α-diol

(4aβ,10aα,11aα)-2α-[2-(ヒドロキシメチル)-2-プロペニル]-5aβ,14-ジメチル-15β-[(Z)-3,5-ヘキサジエニル]ドデカヒドロ-8α,9β-(エポキシブタノ)-1,5,10-トリオキサ-1H-シクロヘプタ[b]ナフタレン-4α,14α-ジオール
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: C28H44O7
Molecular formula furigana: C28-H44-O7
Molecular weight: 492.653
InChI: InChI=1S/C28H44O7/c1-5-6-7-8-9-24-27(3,31)12-10-21-22(33-24)11-13-28(4)25(34-21)16-23-26(35-28)20(30)15-19(32-23)14-18(2)17-29/h5-7,19-26,29-31H,1-2,8-17H2,3-4H3/b7-6-/t19-,20+,21-,22+,23-,24-,25+,26+,27+,28-/m1/s1
InChI key: QFJAIKRQENWKQY-HWFPZXRZSA-N
SMILES: C[C@@]12CC[C@@H]3O[C@H](CC/C=C\C=C)[C@@](C)(O)CC[C@H]3O[C@H]1C[C@H]1O[C@H](CC(=C)CO)C[C@H](O)[C@@H]1O2
Systematic name  (3):
  • (4aβ,10aα,11aα)-2α-[2-(ヒドロキシメチル)-2-プロペニル]-5aβ,14-ジメチル-15β-[(Z)-3,5-ヘキサジエニル]ドデカヒドロ-8α,9β-(エポキシブタノ)-1,5,10-トリオキサ-1H-シクロヘプタ[b]ナフタレン-4α,14α-ジオール
  • (1S,3R,6S,7R,9S,12R,14S,15S,17R,19R)-7-[(3Z)-ヘキサ-3,5-ジエン-1-イル]-17-(3-ヒドロキシ-2-メチリデンプロピル)-6,12-ジメチル-2,8,13,18-テトラオキサテトラシクロ[10.8.0.03,9.014,19]イコサン-6,15-ジオール
  • (1S,3R,6S,7R,9S,12R,14S,15S,17R,19R)-7-[(3Z)-hexa-3,5-dien-1-yl]-17-(3-hydroxy-2-methylidenepropyl)-6,12-dimethyl-2,8,13,18-tetraoxatetracyclo[10.8.0.03,9.014,19]icosane-6,15-diol
Other name (1):
  • (4aβ,10aα,11aα)-2α-[2-(Hydroxymethyl)-2-propenyl]-5aβ,14-dimethyl-15β-[(Z)-3,5-hexadienyl]dodecahydro-8α,9β-(epoxybutano)-1,5,10-trioxa-1H-cyclohepta[b]naphthalene-4α,14α-diol
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