Cas no 120542-29-2 (1,6-Cyclo-1,10-secoandrosta-4,9-dien-3-one,17-hydroxy-, (6b,17b)- (9CI))
120542-29-2 structure
Product Name:1,6-Cyclo-1,10-secoandrosta-4,9-dien-3-one,17-hydroxy-, (6b,17b)- (9CI)
CAS No:120542-29-2
MF:C19H26O2
MW:286.408545970917
CID:189887
PubChem ID:129185
Update Time:2025-04-19
1,6-Cyclo-1,10-secoandrosta-4,9-dien-3-one,17-hydroxy-, (6b,17b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,6-Cyclo-1,10-secoandrosta-4,9-dien-3-one,17-hydroxy-, (6b,17b)- (9CI)
- 3-hydroxy-3,6-dimethyl-2,3,3,4,5,8,9,10,10,11,11,11-dodecahydro-1H-cyclopenta(a)anthracene-8-one
- (3S,3aS,10aS,11aS,11bS)-3-hydroxy-3a,6-dimethyl-1,2,3,3a,4,5,9,10,10a,11,11a,11b-dodecahydro-8H-cyclopenta[a]anthracen-8-o
- 1,6-Cyclo-1,10-secoandrosta-4,9-dien-3-one, 17-hydroxy-, (6beta,17beta)-
- 3beta-Hydroxy-3alpha,beta,6-dimethyl-2,3,3a,4,5,8,9,10,10abeta,11,11abeta,11balpha-dodecahydro-1H-cyclopenta(a)anthracene-8-one
- Anthrasteroid 1
- (3S,3aS,10aS,11aS,11bS)-3-hydroxy-3a,6-dimethyl-2,3,4,5,9,10,10a,11,11a,11b-decahydro-1H-cyclopenta[a]anthracen-8-one
- 3-Hydroxy-3a,6-dimethyl-1,2,3,3a,4,5,9,10,10a,11,11a,11b-dodecahydro-8H-cyclopenta[a]anthracen-8-one
- 120542-29-2
- DTXSID80923460
- 3 beta-hydroxy-3alpha,beta,6-dimethyl-2,3,3a,4,5,8,9,10,10abeta,11,11abeta,11balpha-dodecahydro-1H-cyclopenta(a)anthracene-8-one
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- Inchi： 1S/C19H26O2/c1-11-14-7-8-19(2)17(5-6-18(19)21)16(14)9-12-3-4-13(20)10-15(11)12/h10,12,16-18,21H,3-9H2,1-2H3/t12-,16+,17-,18-,19-/m0/s1
- InChI Key： HGULMTJPHPUFCN-WKCWRMMGSA-N
- SMILES： O[C@H]1CC[C@H]2[C@@H]3C[C@@H]4CCC(C=C4C(C)=C3CC[C@@]21C)=O
Computed Properties
- Exact Mass: 284.17800
- Monoisotopic Mass: 286.19328
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 556
- 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
- Topological Polar Surface Area: 37.3
- XLogP3: 2
Experimental Properties
- Density: 1.14
- Boiling Point: 460.7°Cat760mmHg
- Flash Point: 196.1°C
- Refractive Index: 1.575
- PSA: 37.30000
- LogP: 4.00760
1,6-Cyclo-1,10-secoandrosta-4,9-dien-3-one,17-hydroxy-, (6b,17b)- (9CI) Related Literature
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1. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
120542-29-2 (1,6-Cyclo-1,10-secoandrosta-4,9-dien-3-one,17-hydroxy-, (6b,17b)- (9CI)) Related Products
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