Cas no 120838-14-4 ((+)-1alphaH,7alphaH,10alphaH-guaia-4,11-dien-3-one)
120838-14-4 structure
Product Name:(+)-1alphaH,7alphaH,10alphaH-guaia-4,11-dien-3-one
CAS No:120838-14-4
MF:C15H22O
MW:218.334584712982
CID:2016699
PubChem ID:10082128
Update Time:2025-04-21
(+)-1alphaH,7alphaH,10alphaH-guaia-4,11-dien-3-one Chemical and Physical Properties
Names and Identifiers
-
- (+)-1alphaH,7alphaH,10alphaH-guaia-4,11-dien-3-one
- (5R,8R,8aR)-3,8-dimethyl-4,5,6,7,8,8a-hexahydro-5-(1-methylethenyl)-2(1H)-azulenone
- 1,7,10alphaH-guai-4,11-dien-3-one
- 1alpha,7alpha,10alphaH-guaia-4,11(13)-dien-3-one
- 1alpha,7alpha,10alphaH-guaia-4,11-dien-3-one
- 1alphaH,7alphaH,10alphaH-guaia-4,11-dien-3-one
- 120838-14-4
- F94040
- AKOS040736159
- 1??,7??,10??H-Guaia-4,11-dien-3-one
- CHEMBL1096220
-
- Inchi： 1S/C15H22O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)14(13)7-12/h10,12-13H,1,5-8H2,2-4H3/t10-,12+,13-/m0/s1
- InChI Key： CESATEXQMONATC-UHTWSYAYSA-N
- SMILES： O=C1C(C)=C2C[C@H](C(=C)C)CC[C@H](C)[C@@H]2C1
Computed Properties
- Exact Mass: 218.167065321g/mol
- Monoisotopic Mass: 218.167065321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 362
- 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: 3.7
- Topological Polar Surface Area: 17.1?2
(+)-1alphaH,7alphaH,10alphaH-guaia-4,11-dien-3-one Related Literature
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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