Chem
J-GLOBAL ID：200907042657963652   Nikkaji number：J1.108.394C

Isogosterone B

イソゴステロンB
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： C29H42O7
Molecular formula furigana： C29-H42-O7
Molecular weight： 502.648
InChI： InChI=1S/C29H42O7/c1-17(2)7-10-24(32)18(3)29(34)14-13-28(36-29)22-9-8-20-15-21(31)11-12-26(20,5)23(22)16-25(27(28,6)33)35-19(4)30/h11-12,15,17-18,22-23,25,33-34H,7-10,13-14,16H2,1-6H3/t18?,22-,23+,25+,26+,27+,28-,29+/m1/s1
InChI key： UPGQWRBTEVLPHO-LPEWEYQVSA-N
SMILES： CC(C)CCC(=O)C(C)[C@]1(O)CC[C@@]2(O1)[C@@H]1CCC3=CC(=O)C=C[C@]3(C)[C@H]1C[C@H](OC(=O)C)[C@]2(C)O
Systematic name  (3)：
  • (4aR,8R,5′S)-4aβ,7-ジメチル-6α-アセトキシ-5′,7α-ジヒドロキシ-5′-(1,5-ジメチル-2-オキソヘキシル)-4′,4bα,5,5′,6,7,9,10-オクタヒドロスピロ[フェナントレン-8(8aβH),2′(3′H)-フラン]-2(4aH)-オン
  • (2R,2'S,3'S,4'aS,4'bR,5S,10'aR)-2',5-ジヒドロキシ-2',4'b-ジメチル-5-(6-メチル-3-オキソヘプタン-2-イル)-7'-オキソ-3',4',4'a,4'b,7',9',10',10'a-オクタヒドロ-2'H-スピロ[オキソラン-2,1'-フェナントレン]-3'-イル アセタート
  • (2R,2'S,3'S,4'aS,4'bR,5S,10'aR)-2',5-dihydroxy-2',4'b-dimethyl-5-(6-methyl-3-oxoheptan-2-yl)-7'-oxo-3',4',4'a,4'b,7',9',10',10'a-octahydro-2'H-spiro[oxolane-2,1'-phenanthren]-3'-yl acetate
Other name (3)：
  • (4aR,8R,5′S)-4aβ,7-Dimethyl-6α-acetoxy-5′,7α-dihydroxy-5′-(1,5-dimethyl-2-oxohexyl)-4′,4bα,5,5′,6,7,9,10-octahydrospiro[phenanthrene-8(8aβH),2′(3′H)-furan]-2(4aH)-one
  • Isogosterone B
  • イソゴステロンB
Thsaurus map：
Thesaurus Map

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