Chem
J-GLOBAL ID:200907057857096381   Nikkaji number:J2.250.485A

Bromophycolide A

ブロモフィコリドA
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: C27H37Br3O4
Molecular formula furigana: C27-H37-BR3-O4
Molecular weight: 665.301
InChI: InChI=1S/C27H37Br3O4/c1-16-6-9-21(28)26(4)12-10-22(29)27(5,33)13-11-23(25(2,3)30)34-24(32)17-7-8-20(31)18(14-17)15-19(16)26/h7-8,14,21-23,31,33H,6,9-13,15H2,1-5H3/t21-,22+,23-,26-,27-/m0/s1
InChI key: SKIHYPQTROYIIT-VHXXJFIISA-N
SMILES: CC1=C2Cc3cc(ccc3O)C(=O)O[C@@H](CC[C@](C)(O)[C@H](Br)CC[C@]2(C)[C@@H](Br)CC1)C(C)(C)Br
Systematic name  (4):
  • (10S)-3,7-メテノ-6,14β-ジヒドロキシ-10,9-[(1S)-1-ブロモペンタン-1-イル-4-イリデン]-10α,14-ジメチル-13β-ブロモ-17β-(1-ブロモ-1-メチルエチル)-1-オキサシクロヘプタデカン-3,5-ジエン-2-オン
  • (4S,7S,8R,11S,12S)-4-(1-ブロモ-1-メチルエチル)-7,11,15-トリメチル-7,19-ジヒドロキシ-8,12-ジブロモ-3-オキサトリシクロ[16.3.1.011,16]ドコサン-1(21),15,18(22),19-テトラエン-2-オン
  • (7S,8S,11R,12S,15S)-7,11-ジブロモ-15-(2-ブロモプロパン-2-イル)-12,21-ジヒドロキシ-4,8,12-トリメチル-16-オキサトリシクロ[16.3.1.03,8]ドコサ-1(22),3,18,20-テトラエン-17-オン
  • (7S,8S,11R,12S,15S)-7,11-dibromo-15-(2-bromopropan-2-yl)-12,21-dihydroxy-4,8,12-trimethyl-16-oxatricyclo[16.3.1.03,8]docosa-1(22),3,18,20-tetraen-17-one
Other name (4):
  • (10S)-3,7-Metheno-6,14β-dihydroxy-10,9-[(1S)-1-bromopentan-1-yl-4-ylidene]-10α,14-dimethyl-13β-bromo-17β-(1-bromo-1-methylethyl)-1-oxacycloheptadecane-3,5-dien-2-one
  • (4S,7S,8R,11S,12S)-4-(1-Bromo-1-methylethyl)-7,11,15-trimethyl-7,19-dihydroxy-8,12-dibromo-3-oxatricyclo[16.3.1.011,16]docosane-1(21),15,18(22),19-tetren-2-one
  • ブロモフィコリドA
  • Bromophycolide A
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