Chem
J-GLOBAL ID:200907024336483464   Nikkaji number:J612.432A

12-Acetoxyamoorastatin

12-アセトキシアモオラスタチン
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: C30H38O11
Molecular formula furigana: C30-H38-O11
Molecular weight: 574.623
InChI: InChI=1S/C30H38O11/c1-13(31)39-20-10-19(34)29-12-38-25(36)26(20,3)17(29)9-18(33)28(5)23(29)22(35)24(40-14(2)32)27(4)16(15-6-7-37-11-15)8-21-30(27,28)41-21/h6-7,11,16-21,23-25,33-34,36H,8-10,12H2,1-5H3/t16-,17-,18+,19-,20+,21+,23-,24-,25+,26+,27+,28+,29+,30+/m0/s1
InChI key: NAHTXVIXCMUDLF-RFNFAWMESA-N
SMILES: CC(=O)O[C@@H]1C[C@H](O)[C@@]23CO[C@@H](O)[C@]1(C)[C@@H]2C[C@@H](O)[C@]1(C)[C@@H]3C(=O)[C@H](OC(=O)C)[C@@]2(C)[C@@H](C[C@H]3O[C@@]123)c1ccoc1
Systematic name  (3):
  • (4R,24R)-3α,12α-ジアセトキシ-14β,15β:19,24-ビスエポキシ-1α,7α,24-トリヒドロキシメリアカン-11-オン
  • (1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15R,16R,19S,21R)-21-(アセチルオキシ)-6-(フラン-3-イル)-12,16,19-トリヒドロキシ-5,11,15-トリメチル-3-オキソ-9,17-ジオキサヘキサシクロ[13.3.3.01,14.02,11.05,10.08,10]ヘンイコサン-4-イル アセタート
  • (1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15R,16R,19S,21R)-21-(acetyloxy)-6-(furan-3-yl)-12,16,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-4-yl acetate
Other name (4):
  • 12-アセトキシアモオラスタチン
  • 12-Acetoxyamoorastatin
  • 12-アセトキシアモーラスタチン
  • (4R,24R)-3α,12α-Diacetoxy-14β,15β:19,24-bisepoxy-1α,7α,24-trihydroxymeliacane-11-one
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