Chem
J-GLOBAL ID：200907056759920010   Nikkaji number：J1.932.900C

Orthophenic acid

オルトフェン酸
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： C30H48O5
Molecular formula furigana： C30-H48-O5
Molecular weight： 488.709
InChI： InChI=1S/C30H48O5/c1-18-29-8-7-19-26(4,20(29)15-22(31)30(18,34)35-17-29)12-14-28(6)21-16-25(3,23(32)33)10-9-24(21,2)11-13-27(19,28)5/h18-22,31,34H,7-17H2,1-6H3,(H,32,33)/t18-,19+,20+,21-,22-,24-,25-,26-,27-,28+,29+,30-/m1/s1
InChI key： JPAXVSRGFJVPEU-XCIUXINDSA-N
SMILES： C[C@H]1[C@@]2(O)OC[C@]31CC[C@H]1[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@@](C)(CC[C@]5(C)CC[C@]14C)C(=O)O)[C@@H]3C[C@H]2O
Systematic name  (3)：
  • 2α,3α-ジヒドロキシ-3β,24-エポキシ-D:A-フリードオレアナン-29-酸
  • (1R,4S,5R,8S,11R,13R,14S,17R,18S,20R,21R,24R)-20,21-ジヒドロキシ-5,8,11,14,17,24-ヘキサメチル-22-オキサヘキサシクロ[19.2.1.01,18.04,17.05,14.08,13]テトラコサン-11-カルボン酸
  • (1R,4S,5R,8S,11R,13R,14S,17R,18S,20R,21R,24R)-20,21-dihydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracosane-11-carboxylic acid
Other name (5)：
  • 2α,3α-Dihydroxy-3β,24-epoxy-D:A-friedooleanane-29-oic acid
  • オルトスフェン酸
  • Orthosphenic acid
  • オルトフェン酸
  • Orthophenic acid
CAS registry number： 86632-20-4
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