Chem
J-GLOBAL ID：200907051133957735   Nikkaji number：J1.343.469G

Talaroconvolutin D

タラロコンボルチンD
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： C35H49NO5
Molecular formula furigana： C35-H49-N-O5
Molecular weight： 563.779
InChI： InChI=1S/C35H49NO5/c1-9-20(2)16-22(4)27-23(5)18-34(8)17-21(3)10-15-26(34)28(27)30(38)29-31-35(36-32(29)39,41-33(6,7)40-31)19-24-11-13-25(37)14-12-24/h11-14,16,18,20-21,26-29,31,37H,9-10,15,17,19H2,1-8H3,(H,36,39)/b22-16+/t20?,21-,26+,27-,28+,29?,31?,34+,35?/m0/s1
InChI key： QHDBOFOXZOOICM-ZSXAJSSESA-N
SMILES： CCC(C)/C=C(\C)/[C@@H]1[C@@H]([C@H]2CC[C@H](C)C[C@]2(C)C=C1C)C(=O)C1C2OC(C)(C)OC2(Cc2ccc(O)cc2)NC1=O
Systematic name  (3)：
  • テトラヒドロ-6-[[1,2,4a,5,6,7,8,8aβ-オクタヒドロ-2β-[(E)-1,3-ジメチル-1-ペンテニル]-3,4aα,6β-トリメチルナフタレン-1β-イル]カルボニル]-3a-(4-ヒドロキシベンジル)-2,2-ジメチル-4H-1,3-ジオキソロ[4,5-b]ピロール-5-オン
  • 6-[(1R,2S,4aS,6S,8aR)-3,4a,6-トリメチル-2-[(2E)-4-メチルヘキサ-2-エン-2-イル]-1,2,4a,5,6,7,8,8a-オクタヒドロナフタレン-1-カルボニル]-3a-[(4-ヒドロキシフェニル)メチル]-2,2-ジメチル-ヘキサヒドロ-[1,3]ジオキソロ[4,5-b]ピロール-5-オン
  • 6-[(1R,2S,4aS,6S,8aR)-3,4a,6-trimethyl-2-[(2E)-4-methylhex-2-en-2-yl]-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-3a-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-hexahydro-[1,3]dioxolo[4,5-b]pyrrol-5-one
Other name (3)：
  • Tetrahydro-6-[[1,2,4a,5,6,7,8,8aβ-octahydro-2β-[(E)-1,3-dimethyl-1-pentenyl]-3,4aα,6β-trimethylnaphthalene-1β-yl]carbonyl]-3a-(4-hydroxybenzyl)-2,2-dimethyl-4H-1,3-dioxolo[4,5-b]pyrrole-5-one
  • タラロコンボルチンD
  • Talaroconvolutin D
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