Chem
J-GLOBAL ID:200907095744859701   Nikkaji number:J1.247.108D

24-epi-Quadrangularic acid G

24-epi-クアドラングラリン酸G
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: C31H48O7
Molecular formula furigana: C31-H48-O7
Molecular weight: 532.718
InChI: InChI=1S/C31H48O7/c1-17(2)20(32)8-7-18(25(35)36)19-11-12-28(4)21-9-10-22-29(5,26(37)38-6)23(33)15-24(34)31(22)16-30(21,31)14-13-27(19,28)3/h18-24,32-34H,1,7-16H2,2-6H3,(H,35,36)/t18-,19-,20-,21+,22+,23+,24+,27-,28+,29+,30+,31-/m1/s1
InChI key: KALMVCDXDQYBPA-WQXOJWCKSA-N
SMILES: COC(=O)[C@]1(C)[C@@H](O)C[C@H](O)[C@]23C[C@@]42CC[C@]2(C)[C@H](CC[C@@]2(C)[C@@H]4CC[C@@H]13)[C@@H](CC[C@@H](O)C(=C)C)C(=O)O
Systematic name  (4):
  • (24R)-1α,3β,24-トリヒドロキシシクロアルタ-25-エン-21,28-二酸28-メチル
  • (24R)-1α,3β,24-トリヒドロキシ-5α-シクロアルタ-25-エン-21,28-二酸28-メチル
  • (2R,5R)-2-[(1S,3S,4S,6S,7S,8R,11S,12S,15R,16R)-4,6-ジヒドロキシ-7-(メトキシカルボニル)-7,12,16-トリメチルペンタシクロ[9.7.0.01,3.03,8.012,16]オクタデカン-15-イル]-5-ヒドロキシ-6-メチルヘプタ-6-エン酸
  • (2R,5R)-2-[(1S,3S,4S,6S,7S,8R,11S,12S,15R,16R)-4,6-dihydroxy-7-(methoxycarbonyl)-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-15-yl]-5-hydroxy-6-methylhept-6-enoic acid
Other name (4):
  • (24R)-1α,3β,24-Trihydroxycycloart-25-ene-21,28-dioic acid 28-methyl ester
  • 24-epi-クアドラングラリン酸G
  • 24-epi-Quadrangularic acid G
  • (24R)-1α,3β,24-Trihydroxy-5α-cycloart-25-ene-21,28-dioic acid 28-methyl ester
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