Simarolide

CAS 1260-58-8 MFCD N/A

化学结构图

1260-58-8
SMILES: CC(=O)O[C@@H]1C[C@@](C)(C(=O)[C@H]2COC(=O)C2)[C@@H]2CC(=O)O[C@@H]3C[C@H]4[C@H](C)C[C@H](O)C(=O)[C@]4(C)[C@@H]1[C@@]32C

别名和识别编码

Synonym Simarolid Picrasane-1,16-dione, 11-(acetyloxy)-2-hydroxy-13-[[(3R)-tetrahydro-5-oxo-3-furanyl]carbonyl]-, (2α)- 24-Nor-16,17-secocholane-16,23-dioic acid, 11-(acetyloxy)-2,7,21-trihydroxy-4,8-dimethyl-1,17-dioxo-, γ-lactone δ-lactone, (2a,4a,5a,7a,11a,13a,14b,20R)- Phenanthro[10,1-bc]pyran-5,11(1H,4H)-dione, 2,3,3ab,6ab,7,7aa,8,9,10,11a,11ba,11c-dodecahydro-1a,10a-dihydroxy-3a,8a,11ab,11cb-tetramethyl-3-(tetrahydro-5-oxo-3-furoyl)-, 1-acetate Simarolide 20(R)-Simarolide
InChIKeyXNXXVFZJNZBURI-WCMQAIAJSA-N
Chemical NameSimarolide
PubChem Substance ID3081377
InChIInChI=1S/C27H36O9/c1-12-6-16(29)24(33)26(4)15(12)8-19-27(5)18(9-21(31)36-19)25(3,10-17(22(26)27)35-13(2)28)23(32)14-7-20(30)34-11-14/h12,14-19,22,29H,6-11H2,1-5H3/t12-,14-,15+,16+,17-,18+,19-,22-,25-,26+,27-/m1/s1
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分类

  • {uni_hamburg} no charge; oxygen heterocycle; carbocycle; alicycle; large ring; fused rings; 5ring; 6ring; 10ring; 12ring; 14ring; 16ring; ester; ketone; lactone; alcohol; chiral; 1fragment

相关文献及参考

  • Short: III/5b Title: Structure Data of Organic Crystals: C 14 ... C 120 Author: Schudt, E.; Weitz, G. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/5b Year: 1971 ISBN: 3-540-05177-5 ISBN: 978-3-540-05177-0 Internet Resource: DOI:10.1007/b19970 RefComment: XXI, 736 pages, and VII, 890 pages. Hardcover Abstract: Volume III/5 offers a compitation as complete as possible of the space groups and lattice con-stants of all crystals which have been studied by means of X-rays, neutron and electron diffraction.

系列性分类

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