Cas no 22570-55-4 ((3R,3As,5aR,5bR,7aS,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-7-one)
22570-55-4 structure
Product Name:(3R,3As,5aR,5bR,7aS,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-7-one
CAS No:22570-55-4
MF:C30H48O
MW:424.701529502869
CID:277753
Update Time:2023-08-02
(3R,3As,5aR,5bR,7aS,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-7-one Chemical and Physical Properties
Names and Identifiers
-
- A'-Neogammacer-22(29)-en-6-one,(21b)- (9CI)
- (21β)-A'-Neo-5α-gammacer-22(29)-en-6-one
- 7H-Cyclopenta[a]chrysene, A'-neogammacer-22(29)-en-6-one deriv.
- A'-Neo-21aH-gammacer-22(2a)-en-6-one (8CI)
- Zeorininone b
- (3R,3As,5aR,5bR,7aS,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,
- (3R,3As,5aR,5bR,7aS,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-7-one
-
- Inchi: 1S/C30H48O/c1-19(2)20-12-16-27(5)21(20)13-17-29(7)23(27)10-11-24-28(6)15-9-14-26(3,4)25(28)22(31)18-30(24,29)8/h20-21,23-25H,1,9-18H2,2-8H3/t20-,21-,23+,24+,25-,27-,28+,29+,30+/m0/s1
- InChI Key: INJOTIHGNHKCHO-SXEBQTSHSA-N
- SMILES: O=C1C[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CC[C@@H](C(=C)C)[C@@H]4CC[C@@]23C)[C@@]2(C)CCCC(C)(C)[C@@H]21
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 31
- Rotatable Bond Count: 1
- Complexity: 807
- Topological Polar Surface Area: 17.1
(3R,3As,5aR,5bR,7aS,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-7-one Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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