Chem
J-GLOBAL ID：201207015604469220   Nikkaji number：J3.010.541I

Cytosporolide A

シトスポロリド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： C33H48O9
Molecular formula furigana： C33-H48-O9
Molecular weight： 588.738
InChI： InChI=1S/C33H48O9/c1-6-7-8-9-10-11-20-12-18-13-22(35)26(30(37)38)28-25(18)29(41-20)27-23(40-5)14-19(17-34)21-15-31(2,3)33(21,39)24(36)16-32(27,4)42-28/h13-14,20-21,23-24,27,29,34-36,39H,6-12,15-17H2,1-5H3,(H,37,38)/t20-,21-,23+,24+,27-,29+,32+,33-/m1/s1
InChI key： WUUHSTNBLLDBED-XCHCYMGZSA-N
SMILES： CCCCCCC[C@@H]1Cc2cc(O)c(C(=O)O)c3O[C@@]4(C)C[C@H](O)[C@]5(O)[C@H](CC5(C)C)C(=C[C@H](OC)[C@@H]4[C@@H](O1)c23)CO
Systematic name  (3)：
  • (1R)-1β,8-[[(1R,4S)-2-(ヒドロキシメチル)-4α-メトキシ-6,10,10-トリメチル-8α,9α-ジヒドロキシビシクロ[7.2.0]ウンデカン-2-エン-5α,6β-ジイル]オキシ]-3α-ヘプチル-6-ヒドロキシ-3,4-ジヒドロ-1H-2-ベンゾピラン-7-カルボン酸
  • (1R,2R,3S,6R,9S,10S,12S,20R)-20-ヘプチル-9,10,16-トリヒドロキシ-5-(ヒドロキシメチル)-3-メトキシ-8,8,12-トリメチル-13,21-ジオキサペンタシクロ[12.7.1.02,12.06,9.018,22]ドコサ-4,14(22),15,17-テトラエン-15-カルボン酸
  • (1R,2R,3S,6R,9S,10S,12S,20R)-20-heptyl-9,10,16-trihydroxy-5-(hydroxymethyl)-3-methoxy-8,8,12-trimethyl-13,21-dioxapentacyclo[12.7.1.02,12.06,9.018,22]docosa-4,14(22),15,17-tetraene-15-carboxylic acid
Other name (3)：
  • (1R)-1β,8-[[(1R,4S)-2-(Hydroxymethyl)-4α-methoxy-6,10,10-trimethyl-8α,9α-dihydroxybicyclo[7.2.0]undecane-2-ene-5α,6β-diyl]oxy]-3α-heptyl-6-hydroxy-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid
  • シトスポロリドA
  • Cytosporolide A
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