Chem
J-GLOBAL ID:200907000651803845   Nikkaji number:J1.649.464J

Dihomo-(3S,14S)-petrocortyne A

ジホモ-(3S,14S)-ペトロコルチン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: C48H74O2
Molecular formula furigana: C48-H74-O2
Molecular weight: 683.118
InChI: InChI=1S/C48H74O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-36-39-42-45-48(50)46-43-40-37-34-33-35-38-41-44-47(49)4-2/h1-2,5-6,23-24,29-30,41,44,47-50H,7-22,25-28,31-40H2/b6-5-,24-23-,30-29-,44-41+/t47-,48-/m1/s1
InChI key: XBSDXXMNTSGICB-KDBPWXMKSA-N
SMILES: O[C@@H](/C=C/CCCCCCC#C[C@H](O)C#CCCCC/C=C\CCCC/C=C\CCCCCCCCCCCCCCCC/C=C\C#C)C#C
Systematic name  (3):
  • (3S,4E,14S,21Z,27Z,45Z)-オクタテトラコンタン-4,21,27,45-テトラエン-1,12,15,47-テトライン-3,14-ジオール
  • (3S,4E,14S,21Z,27Z,45Z)-オクタテトラコンタ-4,21,27,45-テトラエン-1,12,15,47-テトライン-3,14-ジオール
  • (3S,4E,14S,21Z,27Z,45Z)-octatetraconta-4,21,27,45-tetraen-1,12,15,47-tetrayne-3,14-diol
Other name (3):
  • (3S,4E,14S,21Z,27Z,45Z)-Octatetracontane-4,21,27,45-tetrene-1,12,15,47-tetryne-3,14-diol
  • ジホモ-(3S,14S)-ペトロコルチンA
  • Dihomo-(3S,14S)-petrocortyne A
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