Cas no 36954-68-4 (1-acetyl-10,11-dimethoxy-4-methyl-3,4-seco-condyfol-14(19)en-3-one)
36954-68-4 structure
Product Name:1-acetyl-10,11-dimethoxy-4-methyl-3,4-seco-condyfol-14(19)en-3-one
CAS No:36954-68-4
MF:C23H30N2O4
MW:398.495306491852
CID:2030300
Update Time:2025-04-21
1-acetyl-10,11-dimethoxy-4-methyl-3,4-seco-condyfol-14(19)en-3-one Chemical and Physical Properties
Names and Identifiers
-
- 1-acetyl-10,11-dimethoxy-4-methyl-3,4-seco-condyfol-14(19)en-3-one
- Geissovellin
- Geissovelline
- (2β,7S,14E,15S)-1-Acetyl-14,19-didehydro-10,11-dimethoxy-4-methyl-3,4-secocondyfolan-3-one
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- Inchi： 1S/C23H30N2O4/c1-6-16-15-7-9-24(3)10-8-23(22(16)27)17-12-19(28-4)20(29-5)13-18(17)25(14(2)26)21(23)11-15/h6,12-13,15,21H,7-11H2,1-5H3/b16-6+
- InChI Key： SSEGBBKFPCLCKO-OMCISZLKSA-N
- SMILES： COC1=C(OC)C=C2C(N(C(=O)C)C3C42C(/C(/C(CCN(CC4)C)C3)=C/C)=O)=C1
Computed Properties
- Exact Mass: 398.221
- Monoisotopic Mass: 398.221
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 29
- Rotatable Bond Count: 2
- Complexity: 707
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 59.1A^2
1-acetyl-10,11-dimethoxy-4-methyl-3,4-seco-condyfol-14(19)en-3-one Related Literature
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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
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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