Chem
J-GLOBAL ID：200907031847414742   Nikkaji number：J2.034.017G

Spirofungin A

スピロフンギン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： C29H42O7
Molecular formula furigana： C29-H42-O7
Molecular weight： 502.648
InChI： InChI=1S/C29H42O7/c1-19(6-10-24(30)21(3)9-13-27(31)32)7-11-25-22(4)14-16-29(35-25)17-15-23(5)26(36-29)12-8-20(2)18-28(33)34/h6-10,12-13,18,21-26,30H,11,14-17H2,1-5H3,(H,31,32)(H,33,34)/b10-6+,12-8+,13-9+,19-7+,20-18+/t21-,22-,23-,24-,25+,26-,29-/m0/s1
InChI key： ZUPXAYGYALHVSA-ZTRNFXHBSA-N
SMILES： C[C@@H](/C=C/C(=O)O)[C@@H](O)/C=C/C(=C/C[C@H]1O[C@]2(CC[C@@H]1C)CC[C@H](C)[C@@H](O2)/C=C/C(=C/C(=O)O)/C)/C
Systematic name  (3)：
  • (2E,4S,5S,6E,8E)-4,8-ジメチル-5-ヒドロキシ-10-[(2R,6S)-3β,9β-ジメチル-8β-[(1E,3E)-3-メチル-4-カルボキシ-1,3-ブタジエニル]-1,7-ジオキサスピロ[5.5]ウンデカン-2α-イル]-2,6,8-デカトリエン酸
  • (2E,4S,5S,6E,8E)-10-[(2R,3S,6S,8R,9S)-8-[(1E,3E)-4-カルボキシ-3-メチルブタ-1,3-ジエン-1-イル]-3,9-ジメチル-1,7-ジオキサスピロ[5.5]ウンデカン-2-イル]-5-ヒドロキシ-4,8-ジメチルデカ-2,6,8-トリエン酸
  • (2E,4S,5S,6E,8E)-10-[(2R,3S,6S,8R,9S)-8-[(1E,3E)-4-carboxy-3-methylbuta-1,3-dien-1-yl]-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid
Other name (3)：
  • (2E,4S,5S,6E,8E)-4,8-Dimethyl-5-hydroxy-10-[(2R,6S)-3β,9β-dimethyl-8β-[(1E,3E)-3-methyl-4-carboxy-1,3-butadienyl]-1,7-dioxaspiro[5.5]undecane-2α-yl]-2,6,8-decatrienoic acid
  • スピロフンギンA
  • Spirofungin A
CAS registry number： 214143-44-9
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