Chem
J-GLOBAL ID:200907017938171971   Nikkaji number:J1.246.603J

21β-Hydroxy-3α-methoxyserratane I-14-en-16-one

21β-ヒドロキシ-3α-メトキシセラタンI-14-エン-16-オン
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: C31H50O3
Molecular formula furigana: C31-H50-O3
Molecular weight: 470.738
InChI: InChI=1S/C31H50O3/c1-27(2)22-11-14-29(5)18-19-17-21(32)26-28(3,4)24(33)12-15-30(26,6)20(19)9-10-23(29)31(22,7)16-13-25(27)34-8/h17,20,22-26,33H,9-16,18H2,1-8H3/t20-,22-,23-,24+,25+,26-,29-,30+,31-/m0/s1
InChI key: UGGBNJIWBHUVTN-GNNIZLIUSA-N
SMILES: CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)CC4=CC(=O)[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@H]23)C1(C)C
Systematic name  (3):
  • 21β-ヒドロキシ-3α-メトキシセラタンI-14-エン-16-オン
  • (1S,6R,8R,11R,12S,15S,16R,19R,21R)-8-ヒドロキシ-19-メトキシ-1,7,7,11,16,20,20-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-3-エン-5-オン
  • (1S,6R,8R,11R,12S,15S,16R,19R,21R)-8-hydroxy-19-methoxy-1,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-en-5-one
Other name (1):
  • 21β-Hydroxy-3α-methoxyserratane I-14-en-16-one
Thsaurus map:

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