Cas no 77096-81-2 ((1S,8aβ)-Decahydro-5α-[(E)-5-acetoxy-3-methyl-3-pentenyl]-1,4aα-dimethyl-6-methylene-1-naphthalenecarboxylic acid)
![(1S,8aβ)-Decahydro-5α-[(E)-5-acetoxy-3-methyl-3-pentenyl]-1,4aα-dimethyl-6-methylene-1-naphthalenecarboxylic acid structure](https://ossimg.kuujia.com/scimg/77500/77096-81-2x500.png)
77096-81-2 structure
Product Name:(1S,8aβ)-Decahydro-5α-[(E)-5-acetoxy-3-methyl-3-pentenyl]-1,4aα-dimethyl-6-methylene-1-naphthalenecarboxylic acid
CAS No:77096-81-2
MF:C22H34O4
MW:362.502967357636
CID:1783346
Update Time:2024-03-01
(1S,8aβ)-Decahydro-5α-[(E)-5-acetoxy-3-methyl-3-pentenyl]-1,4aα-dimethyl-6-methylene-1-naphthalenecarboxylic acid Chemical and Physical Properties
Names and Identifiers
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- (1S,8aβ)-Decahydro-5α-[(E)-5-acetoxy-3-methyl-3-pentenyl]-1,4aα-dimethyl-6-methylene-1-naphthalenecarboxylic acid
- ent-15-Acetoxy-8(17),13E-labdadien-18-oic acid
-
- Inchi： 1S/C22H34O4/c1-15(11-14-26-17(3)23)7-9-18-16(2)8-10-19-21(18,4)12-6-13-22(19,5)20(24)25/h11,18-19H,2,6-10,12-14H2,1,3-5H3,(H,24,25)/b15-11-
- InChI Key： HSANNLXBHKRHSH-PTNGSMBKSA-N
- SMILES： CC(OC/C=C(\CCC1C2(CCCC(C2CCC1=C)(C(=O)O)C)C)/C)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- XLogP3: 5.546
(1S,8aβ)-Decahydro-5α-[(E)-5-acetoxy-3-methyl-3-pentenyl]-1,4aα-dimethyl-6-methylene-1-naphthalenecarboxylic acid Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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