Chem
J-GLOBAL ID:200907025552359456   Nikkaji number:J2.021.751K

MF-5

(9R)-13-オキソ-14,15-ジメチル-3β-[[(2R)-2-ヒドロキシペンタノイル]オキシ]-18-(3-メチル-2-ブテニル)-12,15-エポキシ-16-ノルラブダ-8(20),14-ジエン-12-カルボン酸メチル
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: C33H50O7
Molecular formula furigana: C33-H50-O7
Molecular weight: 558.756
InChI: InChI=1S/C33H50O7/c1-10-12-25(34)29(36)39-27-16-18-31(7)24(19-33(30(37)38-9)28(35)22(5)23(6)40-33)21(4)14-15-26(31)32(27,8)17-11-13-20(2)3/h13,24-27,34H,4,10-12,14-19H2,1-3,5-9H3/t24-,25-,26-,27+,31-,32+,33?/m1/s1
InChI key: OMWKEZSIWFZTOS-HCNPWABVSA-N
SMILES: CCC[C@@H](O)C(=O)O[C@H]1CC[C@]2(C)[C@H](CC3(OC(=C(C)C3=O)C)C(=O)OC)C(=C)CC[C@H]2[C@]1(C)CCC=C(C)C
Systematic name  (3):
  • (9R)-13-オキソ-14,15-ジメチル-3β-[[(2R)-2-ヒドロキシペンタノイル]オキシ]-18-(3-メチル-2-ブテニル)-12,15-エポキシ-16-ノルラブダ-8(20),14-ジエン-12-カルボン酸メチル
  • メチル 2-{[(1R,4aR,5S,6S,8aR)-6-{[(2R)-2-ヒドロキシペンタノイル]オキシ}-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}-4,5-ジメチル-3-オキソ-2,3-ジヒドロフラン-2-カルボキシラート
  • methyl 2-{[(1R,4aR,5S,6S,8aR)-6-{[(2R)-2-hydroxypentanoyl]oxy}-5,8a-dimethyl-2-methylidene-5-(4-methylpent-3-en-1-yl)-decahydronaphthalen-1-yl]methyl}-4,5-dimethyl-3-oxo-2,3-dihydrofuran-2-carboxylate
Other name (2):
  • MF-5
  • (9R)-13-Oxo-14,15-dimethyl-3β-[[(2R)-2-hydroxypentanoyl]oxy]-18-(3-methyl-2-butenyl)-12,15-epoxy-16-norlabda-8(20),14-diene-12-carboxylic acid methyl ester
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