Chem
J-GLOBAL ID:200907017487891940   Nikkaji number:J157.899E

Astellolide B

アステロリドB
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: C26H30O9
Molecular formula furigana: C26-H30-O9
Molecular weight: 486.517
InChI: InChI=1S/C26H30O9/c1-15(27)33-13-25(3)9-4-10-26(14-34-16(2)28)20-12-32-24(31)19(20)11-21(22(25)26)35-23(30)17-5-7-18(29)8-6-17/h5-8,21-22,29H,4,9-14H2,1-3H3/t21-,22+,25-,26+/m1/s1
InChI key: GRCAUCWQLNJYKG-GETZNYBYSA-N
SMILES: CC(=O)OC[C@@]1(C)CCC[C@@]2(COC(=O)C)[C@H]1[C@@H](CC1=C2COC1=O)OC(=O)c1ccc(O)cc1
Systematic name  (6):
  • 4-ヒドロキシ安息香酸(5R)-6β,9aβ-ビス(アセチルオキシメチル)-1,3,4,5,5aα,6,7,8,9,9a-デカヒドロ-6-メチル-3-オキソナフト[1,2-c]フラン-5β-イル
  • 4-ヒドロキシ安息香酸(5R,5aS,6S,9aR)-6,9a-ビス(アセチルオキシメチル)-1,3,4,5,5a,6,7,8,9,9a-デカヒドロ-6-メチル-3-オキソナフト[1,2-c]フラン-5-イル
  • (5R)-6β,9aβ-ビス(アセトキシメチル)-5-[(4-ヒドロキシベンゾイル)オキシ]-1,3,4,5,5aα,6,7,8,9,9a-デカヒドロ-6-メチルナフト[1,2-c]フラン-3-オン
  • (5R,5aS,6S,9aR)-6,9a-ビス(アセトキシメチル)-5-[(4-ヒドロキシベンゾイル)オキシ]-1,3,4,5,5a,6,7,8,9,9a-デカヒドロ-6-メチルナフト[1,2-c]フラン-3-オン
  • (5R,5aS,6S,9aR)-6,9a-ビス[(アセチルオキシ)メチル]-6-メチル-3-オキソ-1H,3H,4H,5H,5aH,6H,7H,8H,9H,9aH-ナフト[1,2-c]フラン-5-イル 4-ヒドロキシベンゾアート
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Other name (6):
  • Astellolide B
  • アステロリドB
  • 4-Hydroxybenzoic acid (5R)-6β,9aβ-bis(acetyloxymethyl)-1,3,4,5,5aα,6,7,8,9,9a-decahydro-6-methyl-3-oxonaphtho[1,2-c]furan-5β-yl ester
  • 4-Hydroxybenzoic acid (5R,5aS,6S,9aR)-6,9a-bis(acetyloxymethyl)-1,3,4,5,5a,6,7,8,9,9a-decahydro-6-methyl-3-oxonaphtho[1,2-c]furan-5-yl ester
  • (5R)-6β,9aβ-Bis(acetoxymethyl)-5-[(4-hydroxybenzoyl)oxy]-1,3,4,5,5aα,6,7,8,9,9a-decahydro-6-methylnaphtho[1,2-c]furan-3-one
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CAS registry number: 78834-89-6
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