Cas no 2137-20-4 (Hecogenon)
Hecogenon structure
Product Name:Hecogenon
CAS No:2137-20-4
MF:C27H40O4
MW:428.604108810425
CID:2001744
PubChem ID:12310377
Update Time:2025-04-21
Hecogenon Chemical and Physical Properties
Names and Identifiers
-
- Hecogenon
- hecogenone
- (25R)-5a-Spirostane-3,12-dione
- 2137-20-4
- DTXSID701318479
-
- Inchi： 1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-17,19-22,24H,5-14H2,1-4H3/t15-,16+,17+,19-,20+,21+,22+,24+,25+,26-,27-/m1/s1
- InChI Key： GQJDMLOYAFRRDZ-ZSZANOKASA-N
- SMILES： O1[C@]2(CC[C@@H](C)CO2)[C@@H](C)[C@H]2[C@@H]1C[C@H]1[C@@H]3CC[C@H]4CC(CC[C@]4(C)[C@H]3CC([C@@]12C)=O)=O
Computed Properties
- Exact Mass: 428.29265975g/mol
- Monoisotopic Mass: 428.29265975g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 31
- Rotatable Bond Count: 0
- Complexity: 807
- 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: 4.4
- Topological Polar Surface Area: 52.6?2
Hecogenon Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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