Chem
J-GLOBAL ID:200907049235489120   Nikkaji number:J733.240H

(+)-Herboxidiene A

(+)-ヘルボキシジエン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: C25H42O6
Molecular formula furigana: C25-H42-O6
Molecular weight: 438.605
InChI: InChI=1S/C25H42O6/c1-15(14-25(6)24(31-25)18(4)23(29-7)19(5)26)9-8-10-16(2)22-17(3)11-12-20(30-22)13-21(27)28/h8-10,15,17-20,22-24,26H,11-14H2,1-7H3,(H,27,28)/b9-8+,16-10+/t15-,17-,18+,19-,20+,22+,23-,24+,25+/m0/s1
InChI key: ISZXEMUWHQLLTC-VTEDEVIKSA-N
SMILES: CO[C@H]([C@H](C)O)[C@@H](C)[C@H]1O[C@]1(C)C[C@@H](C)/C=C/C=C(\C)/[C@H]1O[C@@H](CC(=O)O)CC[C@@H]1C
Systematic name  (3):
  • (2R)-5α-メチル-6β-[(1E,3E,5R)-1,5-ジメチル-6-[(2R)-3β-[(1R,2S,3S)-1-メチル-2-メトキシ-3-ヒドロキシブチル]-2-メチルオキシラン-2α-イル]-1,3-ヘキサジエニル]テトラヒドロ-2H-ピラン-2β-酢酸
  • 2-[(2R,5S,6S)-6-[(2E,4E,6R)-7-[(2R,3R)-3-[(2R,3S,4S)-4-ヒドロキシ-3-メトキシペンタン-2-イル]-2-メチルオキシラン-2-イル]-6-メチルヘプタ-2,4-ジエン-2-イル]-5-メチルオキサン-2-イル]酢酸
  • 2-[(2R,5S,6S)-6-[(2E,4E,6R)-7-[(2R,3R)-3-[(2R,3S,4S)-4-hydroxy-3-methoxypentan-2-yl]-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-5-methyloxan-2-yl]acetic acid
Other name (3):
  • (+)-ヘルボキシジエンA
  • (+)-Herboxidiene A
  • (2R)-5α-Methyl-6β-[(1E,3E,5R)-1,5-dimethyl-6-[(2R)-3β-[(1R,2S,3S)-1-methyl-2-methoxy-3-hydroxybutyl]-2-methyloxiran-2α-yl]-1,3-hexadienyl]tetrahydro-2H-pyran-2β-acetic acid
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