Cas no 51670-42-9 (isogomisin O)
isogomisin O structure
Product Name:isogomisin O
CAS No:51670-42-9
MF:C23H28O7
MW:416.464227676392
CID:2069596
PubChem ID:15138533
Update Time:2025-04-21
isogomisin O Chemical and Physical Properties
Names and Identifiers
-
- isogomisin O
- yunnankadsurin B
- CS-0890193
- (9R,10R,11R)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-ol
- DEACETYLKADSURIN
- 51670-42-9
- CHEBI:67452
- Q27135921
- HY-N11971
- CHEMBL506792
- G89118
-
- Inchi： 1S/C23H28O7/c1-11-7-13-8-15(25-3)20(26-4)22(27-5)17(13)18-14(19(24)12(11)2)9-16-21(23(18)28-6)30-10-29-16/h8-9,11-12,19,24H,7,10H2,1-6H3
- InChI Key： YVMJUSKDPJGDHW-UHFFFAOYSA-N
- SMILES： COC1C(OC)=C(OC)C2=C(CC(C(C(C3C2=C(OC)C2=C(OCO2)C=3)O)C)C)C=1
Computed Properties
- Exact Mass: 416.18350323Da
- Monoisotopic Mass: 416.18350323Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 30
- Rotatable Bond Count: 4
- Complexity: 574
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4
- Topological Polar Surface Area: 75.6?2
isogomisin O Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
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5. Agricultural
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