Cas no 61091-56-3 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
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- AC1L1EX8; deoxypodorhizone; 4-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3h)-one; (-)-deoxypodorhyzon; AC1Q6HNP; (+)-Deoxypodorhizon; (.+-.)-Deoxypodorhizon; 2(3H)-Furanone, 4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-((3,4,5-trimethoxyphenyl)methyl)-; (-)-deoxypodorhizon; CTK2F3383; (-)-deoxypodorhizone; SureCN7435808;
- NSC332047
- NSC-332046
- NSC-408993
- 2(3H)-Furanone, 4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-((3,4,5-trimethoxyphenyl)methyl)-
- 72690-16-5
- NSC 408993
- 61091-56-3
- SCHEMBL7435808
- PODORHIZON, (+/-)-DEOXY
- 2-(3,4,5-Trimethoxybenzyl)-3-(3,4-methylenedioxybenzyl) butyrolactone
- (+)-Deoxypodorhizon
- (.+-.)-Deoxypodorhizon
- PODORHIZON, (+)-DEOXY
- 4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
- NSC-332047
- (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
- NSC332046
- 4-[(2H-1,3-Benzodioxol-5-yl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
- DTXSID60976590
- NSC408993
-
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- Inchi： 1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3
- InChI Key： GMLDZDDTZKXJLU-UHFFFAOYSA-N
- SMILES： O1C(C(CC2C=C(C(=C(C=2)OC)OC)OC)C(CC2=CC=C3C(=C2)OCO3)C1)=O
Computed Properties
- Exact Mass: 400.15220310g/mol
- Monoisotopic Mass: 400.15220310g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 29
- Rotatable Bond Count: 7
- Complexity: 541
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 72.4?2
Related Literature
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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