Cas no 66514-00-9 (Z-Oxime-Cholest-4-en-3-one, 9CI)
66514-00-9 structure
Product Name:Z-Oxime-Cholest-4-en-3-one, 9CI
CAS No:66514-00-9
MF:C27H45NO
MW:399.652308225632
CID:2072466
PubChem ID:21763506
Update Time:2025-04-21
Z-Oxime-Cholest-4-en-3-one, 9CI Chemical and Physical Properties
Names and Identifiers
-
- Z-Oxime-Cholest-4-en-3-one, 9CI
- Olesoxime, Z-
- QNTASHOAVRSLMD-FCARAQADSA-
- (NZ)-N-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydroxylamine
- AKOS005145744
- SCHEMBL1010552
- cholest-4-en-3-one, oxime
- Q27271076
- EN300-658773
- Cholest-4-en-3-one, oxime, (3E)-
- 66514-00-9
- TRO 19622;NSC 21311
- InChI=1/C27H45NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25,29H,6-16H2,1-5H3/b28-21-/t19-,22+,23-,24+,25+,26+,27-/m1/s1
- UNII-I2QN18P645
- 896-756-1
- Cholest-4-en-3-one, oxime, (3Z)-
- I2QN18P645
- Z2857553126
- Olesoxime
- (NE)-N-[10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydroxylamine
- 22033-87-0
- E-olesoxime
- N-((1R,3aS,3bS,9aR,9bS,11aR)-9a,11a-dimethyl-1-((2R)-6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta(a)phenanthren-7-ylidene)hydroxylamine
- TRO 19622
- N-[(1R,3aS,3bS,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ylidene]hydroxylamine
-
- Inchi: 1S/C27H45NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25,29H,6-16H2,1-5H3
- InChI Key: QNTASHOAVRSLMD-UHFFFAOYSA-N
- SMILES: CC(CCCC(C1C2(C(C3C(CC2)C2(C(=CC(=NO)CC2)CC3)C)CC1)C)C)C
Computed Properties
- Exact Mass: 399.350115059Da
- Monoisotopic Mass: 399.350115059Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 29
- Rotatable Bond Count: 5
- Complexity: 663
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8.8
- Topological Polar Surface Area: 32.6?2
Z-Oxime-Cholest-4-en-3-one, 9CI Related Literature
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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