Chem
J-GLOBAL ID:200907024687839532   Nikkaji number:J39.497A

Serratadienediol

セラタジエンジオール
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: C30H48O2
Molecular formula furigana: C30-H48-O2
Molecular weight: 440.712
InChI: InChI=1S/C30H48O2/c1-26(2)21-10-8-19-18-28(5)15-12-22-27(3,4)25(32)14-17-30(22,7)23(28)11-9-20(19)29(21,6)16-13-24(26)31/h9,18,21-25,31-32H,8,10-17H2,1-7H3/t21-,22-,23-,24-,25-,28-,29+,30-/m0/s1
InChI key: IAZSGQFBNNXJJT-RFRUBKTJSA-N
SMILES: CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)C=C3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@H]21
Systematic name  (3):
  • C(14a)-ホモ-27-ノル-5α-ガンマセラ-12,14-ジエン-3β,21α-ジオール
  • (3S,6R,8S,11R,12S,16S,19S,21R)-3,7,7,11,16,20,20-ヘプタメチルペンタシクロ[13.8.0.03,12.06,11.016,21]トリコサ-1,14-ジエン-8,19-ジオール
  • (3S,6R,8S,11R,12S,16S,19S,21R)-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricosa-1,14-diene-8,19-diol
Other name (3):
  • セラタジエンジオール
  • Serratadienediol
  • C(14a)-Homo-27-nor-5α-gammacera-12,14-diene-3β,21α-diol
CAS registry number: 25254-95-9
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