Cas no 10110-86-8 (Estra-4,9,11-trien-3-one,17-hydroxy-7,17-dimethyl-, (7a,17b)- (9CI))
10110-86-8 structure
Product Name:Estra-4,9,11-trien-3-one,17-hydroxy-7,17-dimethyl-, (7a,17b)- (9CI)
CAS No:10110-86-8
MF:C20H26O2
MW:298.419246196747
CID:187694
PubChem ID:101678228
Update Time:2025-04-19
Estra-4,9,11-trien-3-one,17-hydroxy-7,17-dimethyl-, (7a,17b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Estra-4,9,11-trien-3-one,17-hydroxy-7,17-dimethyl-, (7a,17b)- (9CI)
- Estr-4,9,11-triene-3-one, 17b-hydroxy-7a,17-dimethyl-
- Estra-4,9,11-trien-3-one,17b-hydroxy-7a,17-dimethyl- (7CI,8CI)
- RU 2420
- Estra-4,9,11-trien-3-one, 17-hydroxy-7,17-dimethyl-, (7alpha,17beta)-
- DTXSID001046861
- ESTR-4,9,11-TRIENE-3-ONE, 17.BETA.-HYDROXY-7.ALPHA., 17-DIMETHYL-
- Dimethyltrienolone
- Estra-4,9,11-trien-3-one, 17beta-hydroxy-7alpha,17-dimethyl-
- UNII-8GP0J5637H
- 17-?Hydroxy-?7,?17-?dimethylestra-?4,?9,?11-?trien-?3-?one
- 8GP0J5637H
- ESTRA-4,9,11-TRIEN-3-ONE, 17.BETA.-HYDROXY-7.ALPHA.,17-DIMETHYL-
- ESTRA-4,9,11-TRIEN-3-ONE, 17-HYDROXY-7,17-DIMETHYL-, (7.ALPHA.,17.BETA.)-
- ESTR-4,9,11-triene-3-one, 17beta-hydroxy-7alpha, 17-dimethyl-
- RU-2420
- 10110-86-8
-
- Inchi： 1S/C20H26O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h6,8,11-12,17-18,22H,4-5,7,9-10H2,1-3H3/t12-,17+,18-,19+,20+/m1/s1
- InChI Key： MEMDJKLEPFFNQS-ZGPIAVDESA-N
- SMILES： O[C@@]1(C)CC[C@H]2[C@H]3C(=C4CCC(C=C4C[C@H]3C)=O)C=C[C@@]21C
Computed Properties
- Exact Mass: 272.08309
- Monoisotopic Mass: 298.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 638
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 52.54
Estra-4,9,11-trien-3-one,17-hydroxy-7,17-dimethyl-, (7a,17b)- (9CI) Related Literature
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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