Cas no 74133-46-3 (Picras-3-ene-2,16-dione,1,11,12,13,15-pentahydroxy-, (1b,11b,12a,15b)- (9CI))
74133-46-3 structure
Product Name:Picras-3-ene-2,16-dione,1,11,12,13,15-pentahydroxy-, (1b,11b,12a,15b)- (9CI)
CAS No:74133-46-3
MF:C20H28O8
MW:396.431527137756
CID:570854
PubChem ID:330352
Update Time:2025-04-19
Picras-3-ene-2,16-dione,1,11,12,13,15-pentahydroxy-, (1b,11b,12a,15b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Picras-3-ene-2,16-dione,1,11,12,13,15-pentahydroxy-, (1b,11b,12a,15b)- (9CI)
- picras-3-ene-2,16-dione, 1,11,12,13,15-pentahydroxy-, (1beta,11beta,12alpha,15beta)-
- soulameanone
- NSC-318448
- NSC318448
- (1R,2S,3S,7S,9R,12R,13S,14S,15S,16R,17R)-3,12,14,15,16-pentahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione
- 74133-46-3
-
- Inchi： 1S/C20H28O8/c1-7-5-9(21)15(24)18(2)8(7)6-10-19(3)13(18)11(22)16(25)20(4,27)14(19)12(23)17(26)28-10/h5,8,10-16,22-25,27H,6H2,1-4H3/t8-,10+,11+,12+,13+,14+,15+,16-,18-,19+,20-/m0/s1
- InChI Key： IIIGLEGIVYUBSZ-DLQQLGBXSA-N
- SMILES： O1C([C@@H]([C@H]2[C@@](C)([C@H]([C@@H]([C@@H]3[C@@]4(C)[C@@H](C(C=C(C)[C@@H]4C[C@@H]1[C@]32C)=O)O)O)O)O)O)=O
Computed Properties
- Exact Mass: 396.17841785g/mol
- Monoisotopic Mass: 396.17841785g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 28
- Rotatable Bond Count: 0
- Complexity: 778
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 11
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.1
- Topological Polar Surface Area: 145?2
Picras-3-ene-2,16-dione,1,11,12,13,15-pentahydroxy-, (1b,11b,12a,15b)- (9CI) Related Literature
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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