Cas no 37409-51-1 (3,8-Dihydroxy-15-labdanoic acid; (ent-3β,8α,13S)-form)
37409-51-1 structure
Product Name:3,8-Dihydroxy-15-labdanoic acid; (ent-3β,8α,13S)-form
CAS No:37409-51-1
MF:C20H36O4
MW:340.497447013855
CID:321311
Update Time:2024-02-29
3,8-Dihydroxy-15-labdanoic acid; (ent-3β,8α,13S)-form Chemical and Physical Properties
Names and Identifiers
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- 1-Naphthalenepentanoicacid, decahydro-2,6-dihydroxy-b,2,5,5,8a-pentamethyl-, (bR,1S,2S,4aS,6R,8aR)-
- (1S,4aβ,βR)-Decahydro-2β,6α-dihydroxy-β,2,5,5,8aα-pentamethyl-1-naphthalenepentanoic acid
- 1-Naphthalenepentanoicacid, decahydro-2,6-dihydroxy-b,2,5,5,8a-pentamethyl-, [1S-[1a(S*),2b,4ab,6a,8aa]]-
- Lithofellic acid
- CID 101316995
- 3,8-Dihydroxy-15-labdanoic acid; (ent-3β,8α,13S)-form
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- Inchi: 1S/C20H36O4/c1-13(12-17(22)23)6-7-15-19(4)10-9-16(21)18(2,3)14(19)8-11-20(15,5)24/h13-16,21,24H,6-12H2,1-5H3,(H,22,23)/t13-,14-,15+,16-,19-,20+/m1/s1
- InChI Key: QBLCBVUJOBOSCE-HDRHIQQSSA-N
- SMILES: O[C@@]1(C)CC[C@@H]2C(C)(C)[C@@H](CC[C@@]2(C)[C@@H]1CC[C@@H](C)CC(=O)O)O
Computed Properties
- Exact Mass: 340.261
- Monoisotopic Mass: 340.261
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 5
- Complexity: 474
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 77.8
3,8-Dihydroxy-15-labdanoic acid; (ent-3β,8α,13S)-form Related Literature
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1. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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