Chem
J-GLOBAL ID：200907074661240168   Nikkaji number：J1.334.912F

Bisgersolanolide

ビスゲルソラノリド
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： C40H48O10
Molecular formula furigana： C40-H48-O10
Molecular weight： 688.814
InChI： InChI=1S/C40H48O10/c1-17(2)22-11-9-20-13-26(48-36(20)46)38(6)15-24(38)32(43)28-19(5)34(30(22)41)50-40(8)29(28)33(44)25-16-39(25,7)27-14-21(37(47)49-27)10-12-23(18(3)4)31(42)35(40)45/h13-14,22-31,41-42H,1,3,9-12,15-16H2,2,4-8H3/t22-,23-,24-,25-,26+,27+,28-,29-,30-,31+,38+,39+,40-/m0/s1
InChI key： NRSWSINQTHGHRP-WBNBPPEPSA-N
SMILES： CC(=C)[C@@H]1CCC2=C[C@@H](OC2=O)[C@]2(C)C[C@H]2C(=O)[C@@H]2[C@H]3C(=O)[C@@H]4C[C@@]4(C)[C@@H]4OC(=O)C(=C4)CC[C@H]([C@@H](O)C(=O)[C@@]3(C)OC(=C2C)[C@H]1O)C(=C)C
Systematic name  (3)：
  • (15α)-1α,11,18-トリメチル-4β,10β,19α,25β-テトラヒドロキシ-5α,24β-ジイソプロペニル-13,16,26-トリオキソ-14β,3-[(Z)-エタン-1-イル-1-イリデン]-11α,12β:17α,18β-ジメタノ-2-オキサビシクロ[13.11.0]ヘキサコサン-8,20-ジエン-8,21-ジカルボン酸8,10:21,19-ジラクトン
  • (1R,2R,4R,6R,7R,13S,14R,16S,19S,20S,26R,27R,29R)-14,19-ジヒドロキシ-6,16,27,31-テトラメチル-13,20-ビス(プロパ-1-エン-2-イル)-8,17,25-トリオキサヘプタシクロ[16.12.1.17,10.123,26.02,16.04,6.027,29]トリトリアコンタ-10(33),18(31),23(32)-トリエン-3,9,15,24,30-ペンタオン
  • (1R,2R,4R,6R,7R,13S,14R,16S,19S,20S,26R,27R,29R)-14,19-dihydroxy-6,16,27,31-tetramethyl-13,20-bis(prop-1-en-2-yl)-8,17,25-trioxaheptacyclo[16.12.1.17,10.123,26.02,16.04,6.027,29]tritriaconta-10(33),18(31),23(32)-triene-3,9,15,24,30-pentone
Other name (3)：
  • (15α)-1α,11,18-Trimethyl-4β,10β,19α,25β-tetrahydroxy-5α,24β-diisopropenyl-13,16,26-trioxo-14β,3-[(Z)-ethan-1-yl-1-ylidene]-11α,12β:17α,18β-dimethano-2-oxabicyclo[13.11.0]hexacosane-8,20-diene-8,21-dicarboxylic acid 8,10:21,19-dilactone
  • ビスゲルソラノリド
  • Bisgersolanolide
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