Cas no 168301-28-8 (25(10→9)-Abeo-3-hydroxy-5-baueren-28-oic acid; 3β-form)
168301-28-8 structure
Product Name:25(10→9)-Abeo-3-hydroxy-5-baueren-28-oic acid; 3β-form
CAS No:168301-28-8
MF:C30H48O3
MW:456.700329780579
CID:209663
Update Time:2024-03-01
25(10→9)-Abeo-3-hydroxy-5-baueren-28-oic acid; 3β-form Chemical and Physical Properties
Names and Identifiers
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- 25,26-Dinorurs-5-en-28-oicacid, 3-hydroxy-9,13-dimethyl-, (3b,8a,9b,10a,13a,14b)- (9CI)
- (+)-Rhoiptelic acid
- 4a(2H)-Picenecarboxylic acid,1,3,4,5,6,6a,6b,7,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydro-10-hydroxy-1,2,6a,9,9,12b,14a-heptamethyl-,(1S,2R,4aS,6aR,6bS,10S,12aS,12bR,14aS,14bS)-
- D:B-Friedours-5-en-28-oicacid, 3-hydroxy-, (3b)-
- Rhoiptelic acid
- CID 101945420
- 25(10→9)-Abeo-3-hydroxy-5-baueren-28-oic acid; 3β-form
-
- Inchi： 1S/C30H48O3/c1-18-12-13-30(25(32)33)17-16-28(6)22-10-8-20-21(9-11-23(31)26(20,3)4)27(22,5)14-15-29(28,7)24(30)19(18)2/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22+,23+,24+,27+,28-,29+,30+/m1/s1
- InChI Key： WLHJOAZSIGZCFQ-ATKMEVJESA-N
- SMILES： OC([C@]12CC[C@@H](C)[C@H](C)[C@H]1[C@]1(C)CC[C@@]3(C)[C@@H]4CC[C@@H](C(C)(C)C4=CC[C@@H]3[C@@]1(C)CC2)O)=O
Computed Properties
- Exact Mass: 456.36
- Monoisotopic Mass: 456.36
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 33
- Rotatable Bond Count: 1
- Complexity: 874
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 57.5
25(10→9)-Abeo-3-hydroxy-5-baueren-28-oic acid; 3β-form Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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