Chem
J-GLOBAL ID:200907066900722126   Nikkaji number:J2.021.749I

MF-3

(9R)-3β,13,15-トリヒドロキシ-14,15-ジメチル-18-(3-メチル-2-ブテニル)-16-ノルラブダ-8(20),12,14-トリエン-12-カルボン酸δ-ラクトン
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: C27H40O4
Molecular formula furigana: C27-H40-O4
Molecular weight: 428.613
InChI: InChI=1S/C27H40O4/c1-16(2)9-8-13-27(7)22-11-10-17(3)21(26(22,6)14-12-23(27)28)15-20-24(29)18(4)19(5)31-25(20)30/h9,21-23,28-29H,3,8,10-15H2,1-2,4-7H3/t21-,22-,23+,26-,27+/m1/s1
InChI key: DZEAYBRRTVFUAI-KHVHCGRYSA-N
SMILES: CC(=CCC[C@]1(C)[C@@H](O)CC[C@]2(C)[C@H](Cc3c(O)c(C)c(C)oc3=O)C(=C)CC[C@@H]12)C
Systematic name  (4):
  • (9R)-3β,13,15-トリヒドロキシ-14,15-ジメチル-18-(3-メチル-2-ブテニル)-16-ノルラブダ-8(20),12,14-トリエン-12-カルボン酸δ-ラクトン
  • 3-[[(1R,4aα)-2-メチレン-5,8aβ-ジメチル-5α-(4-メチル-3-ペンテニル)-6β-ヒドロキシデカリン-1α-イル]メチル]-4-ヒドロキシ-5,6-ジメチル-2H-ピラン-2-オン
  • 3-{[(1R,4aR,5S,6S,8aR)-6-ヒドロキシ-5,8a-ジメチル-2-メチリデン-5-(4-メチルペンタ-3-エン-1-イル)-デカヒドロナフタレン-1-イル]メチル}-4-ヒドロキシ-5,6-ジメチル-2H-ピラン-2-オン
  • 3-{[(1R,4aR,5S,6S,8aR)-6-hydroxy-5,8a-dimethyl-2-methylidene-5-(4-methylpent-3-en-1-yl)-decahydronaphthalen-1-yl]methyl}-4-hydroxy-5,6-dimethyl-2H-pyran-2-one
Other name (3):
  • MF-3
  • 3-[[(1R,4aα)-2-Methylene-5,8aβ-dimethyl-5α-(4-methyl-3-pentenyl)-6β-hydroxydecalin-1α-yl]methyl]-4-hydroxy-5,6-dimethyl-2H-pyran-2-one
  • (9R)-3β,13,15-Trihydroxy-14,15-dimethyl-18-(3-methyl-2-butenyl)-16-norlabda-8(20),12,14-triene-12-carboxylic acid δ-lactone
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