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CAS 54201-84-2
Also known as: 54201-84-2, 3,20-bis(ethylenedioxy)-19-norpregna-5(10),9(11)-dien-17-ol, Schembl544778, Zinc34463497, Akos025401802, Ac-25767
Molecular Formula
C24H34O5
Molecular Weight
402.5  g/mol
InChI Key
VTRLTZGPHRKHDY-MDAIXWLXSA-N

1 2D Structure

CAS 54201-84-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(8S,13S,14S,17R)-13-methyl-17-(2-methyl-1,3-dioxolan-2-yl)spiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol
2.1.2 InChI
InChI=1S/C24H34O5/c1-21-8-5-18-17-6-9-23(28-13-14-29-23)15-16(17)3-4-19(18)20(21)7-10-24(21,25)22(2)26-11-12-27-22/h5,19-20,25H,3-4,6-15H2,1-2H3/t19-,20+,21+,24-/m1/s1
2.1.3 InChI Key
VTRLTZGPHRKHDY-MDAIXWLXSA-N
2.1.4 Canonical SMILES
CC12CC=C3C(C1CCC2(C4(OCCO4)C)O)CCC5=C3CCC6(C5)OCCO6
2.1.5 Isomeric SMILES
C[C@]12CC=C3[C@H]([C@@H]1CC[C@@]2(C4(OCCO4)C)O)CCC5=C3CCC6(C5)OCCO6
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 54201-84-2

2. 3,20-bis(ethylenedioxy)-19-norpregna-5(10),9(11)-dien-17-ol

3. Schembl544778

4. Zinc34463497

5. Akos025401802

6. Ac-25767

7. A902132

8. 17-hydroxy-19-norpregna-5(10),9(11)-diene-3,20-dione 3,20-bis(ethylene Acetal)

9. (8s,13s,14s,17r)-13-methyl-17-(2-methyl-1,3-dioxolan-2-yl)spiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol

2.3 Create Date
2007-02-09
3 Chemical and Physical Properties
Molecular Weight 402.5 g/mol
Molecular Formula C24H34O5
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass402.24062418 g/mol
Monoisotopic Mass402.24062418 g/mol
Topological Polar Surface Area57.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity772
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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54201-84-2
Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and developmen...
Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and development, manufacturing process and sales service of pharmaceutical intermediates and APIs. It has passed ISO9001:2000 international quality management system certificate. Its business scope includes development and manufacturing of APIs and pharmaceutical intermediates, contract development and manufacturing for domestic and international pharmaceutical companies, technical consultation, service and transfer.
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Green Stone Swiss Co ., ltd.is a high-tech enterprise of pharmaceuticals and health ingredients, and prov...
Green Stone Swiss Co ., ltd.is a high-tech enterprise of pharmaceuticals and health ingredients, and provide customized products/OEM/ODM. We signed technical cooperation agreements with 7 Universities of Europe, USA and China, equipped with a set of advanced production and testing equipment to ensure product quality. Our manufactures Factory has first-class production equipment and strict quality management system, which covers an area of 6000 square meters, packing workshop covers 1800 square meters, laboratory covers 260 square meters, building area of 1600 square meters.
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Jinan Chenghui Shuangda Chemical Co., Ltd is subordinate to Chengchuang Pharmaceutical Group, which is fo...
Jinan Chenghui Shuangda Chemical Co., Ltd is subordinate to Chengchuang Pharmaceutical Group, which is formally established in March, 2002. It is a high-tech enterprise professionally producing pharmaceutical intermediates and fine chemical products inland. The company is located in Chengchuang industrial park, high-tech development district, Ji’nan, the capital city of Shandong Province. It is 1km far from Longitude Ten Road which is the main road of Jinan city, 5km from high way surrounding Ji’nan city and 25km from Yaoqiang airport in Ji’nan. It has superior geographic location and the traffic is very convenient.
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