Chem
J-GLOBAL ID：200907006931397735   Nikkaji number：J2.763.624A

Dysoxyhainol

ジソキシハイノール
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： C30H48O3
Molecular formula furigana： C30-H48-O3
Molecular weight： 456.711
InChI： InChI=1S/C30H48O3/c1-24(2)20-12-13-29(8)21(30(20,9)23(32)22(24)31)11-10-18-19-16-27(6,25(3,4)33)17-26(19,5)14-15-28(18,29)7/h10,19-21,23,32-33H,11-17H2,1-9H3/t19-,20-,21-,23-,26-,27-,28+,29+,30-/m0/s1
InChI key： PKAQSCLYMXBQMU-FACVUHIGSA-N
SMILES： CC(C)(O)[C@@]1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)[C@@H](O)C(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C1
Systematic name  (3)：
  • 1α,29-ジヒドロキシ-29,29-ジメチル-A(3),E(21)-ジノル-オレアナ-12-エン-2-オン
  • (1S,2R,5R,8R,9R,10S,14R,16S,18S)-8-ヒドロキシ-16-(2-ヒドロキシプロパン-2-イル)-1,2,6,6,9,16,18-ヘプタメチルペンタシクロ[11.7.0.02,10.05,9.014,18]イコサ-12-エン-7-オン
  • (1S,2R,5R,8R,9R,10S,14R,16S,18S)-8-hydroxy-16-(2-hydroxypropan-2-yl)-1,2,6,6,9,16,18-heptamethylpentacyclo[11.7.0.02,10.05,9.014,18]icos-12-en-7-one
Other name (3)：
  • 1α,29-Dihydroxy-29,29-dimethyl-A(3),E(21)-dinor-oleana-12-ene-2-one
  • ジソキシハイノール
  • Dysoxyhainol
Thsaurus map：
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