Cas no 29784-85-8 ((3S,3As,5aR,5bR,7aR,8R,11aR,11bR,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,11a,13b-pentamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-8-carboxylic acid)
![(3S,3As,5aR,5bR,7aR,8R,11aR,11bR,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,11a,13b-pentamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-8-carboxylic acid structure](https://ossimg.kuujia.com/scimg/30000/29784-85-8x500.png)
29784-85-8 structure
Product Name:(3S,3As,5aR,5bR,7aR,8R,11aR,11bR,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,11a,13b-pentamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-8-carboxylic acid
CAS No:29784-85-8
MF:C30H50O3
MW:458.716209888458
CID:258143
Update Time:2024-02-29
(3S,3As,5aR,5bR,7aR,8R,11aR,11bR,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,11a,13b-pentamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-8-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- A'-Neogammaceran-23-oicacid, 22-hydroxy- (8CI,9CI)
- 1H-Cyclopenta[a]chrysene,A'-neogammaceran-23-oic acid deriv.
- Phlebic acid B
- (3S,3As,5aR,5bR,7aR,8R,11aR,11bR,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,11a,13b-pentamethyl-1,2
- (3S,3As,5aR,5bR,7aR,8R,11aR,11bR,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,11a,13b-pentamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-8-carboxylic acid
-
- Inchi： 1S/C30H50O3/c1-25(2,33)19-11-16-26(3)20(19)12-17-29(6)22(26)9-10-23-27(4)14-8-15-28(5,24(31)32)21(27)13-18-30(23,29)7/h19-23,33H,8-18H2,1-7H3,(H,31,32)/t19-,20-,21+,22+,23+,26-,27-,28+,29+,30+/m0/s1
- InChI Key： RRQHHAPWCFYBIE-HTTDTYSWSA-N
- SMILES： OC(C)(C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCC[C@](C(=O)O)(C)[C@@H]3CC[C@@]12C
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 33
- Rotatable Bond Count: 2
- Complexity: 834
- XLogP3: 8.4
- Topological Polar Surface Area: 57.5
(3S,3As,5aR,5bR,7aR,8R,11aR,11bR,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,11a,13b-pentamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-8-carboxylic acid Related Literature
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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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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
29784-85-8 ((3S,3As,5aR,5bR,7aR,8R,11aR,11bR,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,11a,13b-pentamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-8-carboxylic acid) Related Products
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