Cas no 2984-04-5 ((1s,4as,10as)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic Acid)
2984-04-5 structure
Product Name:(1s,4as,10as)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic Acid
CAS No:2984-04-5
MF:C20H28O2
MW:300.435126304626
CID:1439588
PubChem ID:1761729
Update Time:2025-04-20
(1s,4as,10as)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic Acid Chemical and Physical Properties
Names and Identifiers
-
- (1s,4as,10as)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic Acid
- AC1LWZOB
- Dehydro abietic acid
- (+)-dehydroabietic acid
- NSC730999
- abieta-8,11,13-trien-18-oic acid
- Dehydroabietinsaeure
- Dehydroabiet...saeure
- epi-dehydroabietic acid
- AC1LWZOB; Dehydro abietic acid; (+)-dehydroabietic acid; NSC730999; abieta-8,11,13-trien-18-oic acid; Dehydroabietinsaeure; Dehydroabiet...saeure; epi-dehydroabietic acid;
- DTXSID70365113
- SCHEMBL15313390
- 2984-04-5
- NSC-730999
-
- Inchi： 1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19+,20-/m0/s1
- InChI Key： NFWKVWVWBFBAOV-SXLOBPIMSA-N
- SMILES： OC([C@@]1(C)CCC[C@]2(C)C3C=CC(C(C)C)=CC=3CC[C@@H]21)=O
Computed Properties
- Exact Mass: 300.20904
- Monoisotopic Mass: 300.208930132g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 443
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.6
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
- LogP: 4.90490
(1s,4as,10as)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic Acid Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
2984-04-5 ((1s,4as,10as)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic Acid) Related Products
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