Cas no 155969-83-8 ((20S)-7α,20-Epoxy-20-methoxy-1α,6β,7,11β-tetrahydroxykaur-16-en-15-one)
155969-83-8 structure
Product Name:(20S)-7α,20-Epoxy-20-methoxy-1α,6β,7,11β-tetrahydroxykaur-16-en-15-one
CAS No:155969-83-8
MF:C21H30O7
MW:394.458707332611
CID:213377
Update Time:2024-03-01
(20S)-7α,20-Epoxy-20-methoxy-1α,6β,7,11β-tetrahydroxykaur-16-en-15-one Chemical and Physical Properties
Names and Identifiers
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- Kaur-16-en-15-one,7,20-epoxy-1,6,7,11-tetrahydroxy-20-methoxy-, (1a,6b,7a,11b,20S)- (9CI)
- (-)-Rabdoternin G
- 6,11b-(Epoxymethano)-6a,9-methano-1H-cyclohepta[a]naphthalene,kaur-16-en-15-one deriv.
- Rabdoternin G
- CID 101663495
- (1R,2S,3S,5S,8R,9S,10S,11R,15S,16S)-3,9,10,15-tetrahydroxy-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
- (20S)-7α,20-Epoxy-20-methoxy-1α,6β,7,11β-tetrahydroxykaur-16-en-15-one
-
- Inchi： 1S/C21H30O7/c1-9-10-7-11(22)13-19(8-10,15(9)24)21(26)16(25)14-18(2,3)6-5-12(23)20(13,14)17(27-4)28-21/h10-14,16-17,22-23,25-26H,1,5-8H2,2-4H3/t10-,11+,12?,13-,14-,16+,17?,19+,20?,21-/m1/s1
- InChI Key： RBQOWGQGMNLZHR-XRCGNVGRSA-N
- SMILES： O1C(C23C(CCC(C)(C)[C@H]2[C@@H]([C@@]1([C@]12C(C(=C)[C@H](C[C@@H]([C@@H]31)O)C2)=O)O)O)O)OC
Computed Properties
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 28
- Rotatable Bond Count: 1
- Complexity: 764
- Topological Polar Surface Area: 116
- XLogP3: 0.021
(20S)-7α,20-Epoxy-20-methoxy-1α,6β,7,11β-tetrahydroxykaur-16-en-15-one Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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