Chem
J-GLOBAL ID：200907003172683800   Nikkaji number：J2.454.066I

6S-Hydroxypetroformyne 1

6S-ヒドロキシペトロホルミン1
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： C46H68O4
Molecular formula furigana： C46-H68-O4
Molecular weight： 685.046
InChI： InChI=1S/C46H68O4/c1-3-43(47)37-33-29-25-21-17-14-12-10-8-6-5-7-9-11-13-15-18-22-26-30-34-38-45(49)39-35-31-27-23-19-16-20-24-28-32-36-40-46(50)42-41-44(48)4-2/h1-2,13,15-16,20,26,30,33,37,41-50H,5-12,14,17-19,21-25,27-29,31-32,36,40H2/b15-13-,20-16-,30-26+,37-33+,42-41+/t43-,44-,45-,46+/m1/s1
InChI key： BRSMMCYNOWBORO-QPOWSYISSA-N
SMILES： O[C@@H](CCCCC/C=C\CCCCC#C[C@H](O)C#C/C=C/CC/C=C\CCCCCCCCCCCCC/C=C/[C@H](O)C#C)/C=C/[C@H](O)C#C
Systematic name  (3)：
  • (3S,4E,6S,12Z,20S,23E,27Z,42E,44S)-4,12,23,27,42-ヘキサテトラコンタペンタエン-1,18,21,45-テトライン-3,6,20,44-テトラオール
  • (3S,4E,6S,12Z,20S,23E,27Z,42E,44S)-ヘキサテトラコンタ-4,12,23,27,42-ペンタエン-1,18,21,45-テトライン-3,6,20,44-テトラオール
  • (3S,4E,6S,12Z,20S,23E,27Z,42E,44S)-hexatetraconta-4,12,23,27,42-pentaen-1,18,21,45-tetrayne-3,6,20,44-tetrol
Other name (3)：
  • (3S,4E,6S,12Z,20S,23E,27Z,42E,44S)-4,12,23,27,42-Hexatetracontapentaene-1,18,21,45-tetrayne-3,6,20,44-tetraol
  • 6S-ヒドロキシペトロホルミン1
  • 6S-Hydroxypetroformyne 1
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