Cas no 20711-14-2 (3-[(1R,2R,4As,4bR,6aR,10aR,10bS,12aS)-2-ethenyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl]propanoic acid)
![3-[(1R,2R,4As,4bR,6aR,10aR,10bS,12aS)-2-ethenyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl]propanoic acid structure](https://ossimg.kuujia.com/scimg/21000/20711-14-2x500.png)
20711-14-2 structure
Product Name:3-[(1R,2R,4As,4bR,6aR,10aR,10bS,12aS)-2-ethenyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl]propanoic acid
CAS No:20711-14-2
MF:C30H50O2
MW:442.716809749603
CID:286967
Update Time:2024-02-29
3-[(1R,2R,4As,4bR,6aR,10aR,10bS,12aS)-2-ethenyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl]propanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 1-Chrysenepropanoicacid, 2-ethenyloctadecahydro-2,4b,6a,9,9,10b,12a-heptamethyl-,(1R,2R,4aS,4bR,6aR,10aR,10bS,12aS)-
- (-)-Putranjivic acid
- 1-Chrysenepropanoicacid, 2-ethenyloctadecahydro-2,4b,6a,9,9,10b,12a-heptamethyl-, [1R-(1a,2b,4ab,4ba,6aa,10aa,10bb,12aa)]-
- D:A-Friedo-3,4-secoolean-4(23)-en-3-oic acid(8CI)
- Putranjivic acid
- 3-[(1R,2R,4As,4bR,6aR,10aR,10bS,12aS)-2-ethenyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,
- 3-[(1R,2R,4As,4bR,6aR,10aR,10bS,12aS)-2-ethenyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl]propanoic acid
-
- Inchi： 1S/C30H50O2/c1-9-26(4)13-12-22-28(6,21(26)10-11-24(31)32)17-19-30(8)23-20-25(2,3)14-15-27(23,5)16-18-29(22,30)7/h9,21-23H,1,10-20H2,2-8H3,(H,31,32)/t21-,22+,23-,26+,27-,28+,29-,30+/m1/s1
- InChI Key： RLBWCQXLSQFXJK-RKIYCPPPSA-N
- SMILES： OC(CC[C@@H]1[C@](C=C)(C)CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@@]12C)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 32
- Rotatable Bond Count: 4
- Complexity: 784
- Topological Polar Surface Area: 37.3
- XLogP3: 13.285
3-[(1R,2R,4As,4bR,6aR,10aR,10bS,12aS)-2-ethenyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl]propanoic acid Related Literature
-
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
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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