Chem
J-GLOBAL ID：201107069469431973   Nikkaji number：J2.946.316F

(23R,24R)-7α-Acetoxy-8-methyl-13α,14α-epoxy-18,30-dinor-5α-tirucalla-25-ene-3α,23,24-triol

(23R,24R)-7α-アセトキシ-8-メチル-13α,14α-エポキシ-18,30-ジノル-5α-チルカラ-25-エン-3α,23,24-トリオール
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： C31H50O6
Molecular formula furigana： C31-H50-O6
Molecular weight： 518.735
InChI： InChI=1S/C31H50O6/c1-17(2)26(35)21(33)15-18(3)20-9-14-31-29(8)22(10-13-30(20,31)37-31)28(7)12-11-24(34)27(5,6)23(28)16-25(29)36-19(4)32/h18,20-26,33-35H,1,9-16H2,2-8H3/t18-,20-,21+,22+,23-,24+,25+,26+,28+,29-,30+,31+/m0/s1
InChI key： KMMLBPURQDNDTF-XLNBTKMPSA-N
SMILES： C[C@@H](C[C@@H](O)[C@H](O)C(=C)C)[C@@H]1CC[C@]23O[C@]12CC[C@@H]1[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2C[C@@H](OC(=O)C)[C@@]31C
Systematic name  (3)：
  • (23R,24R)-7α-アセトキシ-8-メチル-13α,14α-エポキシ-18,30-ジノル-5α-チルカラ-25-エン-3α,23,24-トリオール
  • (1R,2S,3R,5R,7R,10S,11R,14R,15S)-15-[(2S,4R,5R)-4,5-ジヒドロキシ-6-メチルヘプタ-6-エン-2-イル]-7-ヒドロキシ-2,6,6,10-テトラメチル-18-オキサペンタシクロ[12.3.1.01,14.02,11.05,10]オクタデカン-3-イル アセタート
  • (1R,2S,3R,5R,7R,10S,11R,14R,15S)-15-[(2S,4R,5R)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-7-hydroxy-2,6,6,10-tetramethyl-18-oxapentacyclo[12.3.1.01,14.02,11.05,10]octadecan-3-yl acetate
Other name (1)：
  • (23R,24R)-7α-Acetoxy-8-methyl-13α,14α-epoxy-18,30-dinor-5α-tirucalla-25-ene-3α,23,24-triol
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Thesaurus Map

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