Cas no 78012-25-6 ((20R)-2,3-Dihydroxy-6-oxo-24-nor-D:A-friedoolean-1,3,5(10),7-tetrene-23,29-dioic acid 29-methyl ester)
78012-25-6 structure
Product Name:(20R)-2,3-Dihydroxy-6-oxo-24-nor-D:A-friedoolean-1,3,5(10),7-tetrene-23,29-dioic acid 29-methyl ester
CAS No:78012-25-6
MF:C30H38O7
MW:510.6185297966
CID:1790444
PubChem ID:13945470
Update Time:2024-03-01
(20R)-2,3-Dihydroxy-6-oxo-24-nor-D:A-friedoolean-1,3,5(10),7-tetrene-23,29-dioic acid 29-methyl ester Chemical and Physical Properties
Names and Identifiers
-
- (20R)-2,3-Dihydroxy-6-oxo-24-nor-D:A-friedoolean-1,3,5(10),7-tetrene-23,29-dioic acid 29-methyl ester
- Zeylasterone
- 24,25,26-Trinoroleana-1,3,5(10),7-tetraene-23,29-dioic acid, 2,3-dihydroxy-9,13-dimethyl-6-oxo-, 29-methyl ester, (9β,13α,14β,20α)-
- (20R)-2,3-Dihydroxy-6-oxo-24-nor-D
- 78012-25-6
-
- Inchi： 1S/C30H38O7/c1-26-7-8-27(2,25(36)37-6)15-20(26)30(5)12-10-28(3)16-13-18(32)23(33)22(24(34)35)21(16)17(31)14-19(28)29(30,4)11-9-26/h13-14,20,32-33H,7-12,15H2,1-6H3,(H,34,35)/t20-,26-,27-,28+,29-,30+/m1/s1
- InChI Key： DXDSZUXZQIKMRQ-GMZGOHOASA-N
- SMILES： C[C@]12CC[C@]3(CC[C@@](C)(C(=O)OC)C[C@@]3([H])[C@@]1(CC[C@]1(C3=CC(O)=C(O)C(C(=O)O)=C3C(=O)C=C21)C)C)C
Computed Properties
- Exact Mass: 510.26175355g/mol
- Monoisotopic Mass: 510.26175355g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 37
- Rotatable Bond Count: 3
- Complexity: 1070
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 6
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.6
- Topological Polar Surface Area: 121?2
Experimental Properties
- Color/Form: Powder
(20R)-2,3-Dihydroxy-6-oxo-24-nor-D:A-friedoolean-1,3,5(10),7-tetrene-23,29-dioic acid 29-methyl ester Related Literature
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
Related Categories
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- Natural Products and Extracts Plant Extracts Plant based Kokoona reflexa
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