Chem
J-GLOBAL ID:200907056381847107   Nikkaji number:J614.517E

Bullatalicin

ブラタリシン
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: C37H66O8
Molecular formula furigana: C37-H66-O8
Molecular weight: 638.927
InChI: InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-30(44-34)17-14-11-9-10-13-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3/t27-,29+,30+,31-,32-,33+,34-,35+,36+/m0/s1
InChI key: HKMBLJVHVBJAIH-OVKYLHECSA-N
SMILES: CCCCCCCCCC[C@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CC[C@H](O)[C@@H]1CC[C@@H](CCCCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)O1
Systematic name  (4):
  • (S)-5-メチル-3-[(R)-9-[[(2R,5S)-5-[(1S,4R)-1,4-ジヒドロキシ-4-[[(2R,5R)-5-[(S)-1-ヒドロキシウンデシル]テトラヒドロフラン]-2-イル]ブチル]テトラヒドロフラン]-2-イル]-2-ヒドロキシノニル]フラン-2(5H)-オン
  • (5S)-3-[(2R)-9-[[(2R,5S)-5-[(1S,4R)-1,4-ジヒドロキシ-4-[[(2R,5R)-5-[(1S)-1-ヒドロキシウンデシル]テトラヒドロフラン]-2-イル]ブチル]テトラヒドロフラン]-2-イル]-2-ヒドロキシノニル]-5-メチルフラン-2(5H)-オン
  • (5S)-3-[(2R)-9-[(2R,5S)-5-[(1S,4R)-1,4-ジヒドロキシ-4-[(2R,5R)-5-[(1S)-1-ヒドロキシウンデシル]オキソラン-2-イル]ブチル]オキソラン-2-イル]-2-ヒドロキシノニル]-5-メチル-2,5-ジヒドロフラン-2-オン
  • (5S)-3-[(2R)-9-[(2R,5S)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxynonyl]-5-methyl-2,5-dihydrofuran-2-one
Other name (8):
  • ブラタリシン
  • Bullatalicin
  • (S)-5-Methyl-3-[(R)-9-[[(2R,5S)-5-[(1S,4R)-1,4-dihydroxy-4-[[(2R,5R)-5-[(S)-1-hydroxyundecyl]tetrahydrofuran]-2-yl]butyl]tetrahydrofuran]-2-yl]-2-hydroxynonyl]furan-2(5H)-one
  • (5S)-3-[(2R)-9-[[(2R,5S)-5-[(1S,4R)-1,4-Dihydroxy-4-[[(2R,5R)-5-[(1S)-1-hydroxyundecyl]tetrahydrofuran]-2-yl]butyl]tetrahydrofuran]-2-yl]-2-hydroxynonyl]-5-methylfuran-2(5H)-one
  • スクアモスタチンB
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CAS registry number: 152323-84-7
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