Chem
J-GLOBAL ID:200907026659555319   Nikkaji number:J37.193I

Cneorin G

クネオリンG
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: C30H38O10
Molecular formula furigana: C30-H38-O10
Molecular weight: 558.624
InChI: InChI=1S/C30H38O10/c1-15(31)36-20-13-22(33)39-26(3,4)19-12-21(37-16(2)32)29(7)18(28(19,20)6)8-10-27(5)23(17-9-11-35-14-17)38-25(34)24-30(27,29)40-24/h9,11,14,18-21,23-24H,8,10,12-13H2,1-7H3/t18-,19+,20?,21-,23+,24-,27+,28-,29+,30-/m1/s1
InChI key: GQQJGWLFWUBFAV-VNULRBPUSA-N
SMILES: CC(=O)O[C@@H]1C[C@@H]2[C@@](C)([C@H]3CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]45[C@]13C)c1ccoc1)C(CC(=O)OC2(C)C)OC(=O)C
Systematic name  (3):
  • 1α,7α-ジアセトキシ-7-デオキソ-1,2-ジヒドロオバクン酸ε-ラクトン
  • (1S,2R,4S,7S,8S,11R,12R,18R,20R)-13-(アセチルオキシ)-7-(フラン-3-イル)-1,8,12,17,17-ペンタメチル-5,15-ジオキソ-3,6,16-トリオキサペンタシクロ[9.9.0.02,4.02,8.012,18]イコサン-20-イル アセタート
  • (1S,2R,4S,7S,8S,11R,12R,18R,20R)-13-(acetyloxy)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-20-yl acetate
Other name (5):
  • クネオリンG
  • 7-アセトキシジヒドロノミリン
  • Cneorin G
  • 7-Acetoxydihydronomilin
  • 1α,7α-Diacetoxy-7-deoxo-1,2-dihydroobacunoic acid ε-lactone
CAS registry number: 66879-86-5
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