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119188-37-3 | 2(3H)-Furanone, 3-[2-[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-5-hydroxy-, (3E)-
CAS No: 119188-37-3 Catalog No: AG000IAD MDL No:MFCD17214867
Product Description
Catalog Number:
AG000IAD
Chemical Name:
2(3H)-Furanone, 3-[2-[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-5-hydroxy-, (3E)-
CAS Number:
119188-37-3
Molecular Formula:
C20H30O3
Molecular Weight:
318.4504
MDL Number:
MFCD17214867
IUPAC Name:
(3E)-3-[2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-hydroxyoxolan-2-one
InChI:
InChI=1S/C20H30O3/c1-13-6-9-16-19(2,3)10-5-11-20(16,4)15(13)8-7-14-12-17(21)23-18(14)22/h7,15-17,21H,1,5-6,8-12H2,2-4H3/b14-7+/t15-,16-,17?,20+/m0/s1
InChI Key:
DYYYQLXAGIXUGM-JQFPLDQISA-N
SMILES:
OC1OC(=O)/C(=C/C[C@H]2C(=C)CC[C@@H]3[C@]2(C)CCCC3(C)C)/C1
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
1
Exact Mass:
318.219g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.457g/mol
Monoisotopic Mass:
318.219g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| Antifungal activity of coronarin D against Candida albicans. | Oral surgery, oral medicine, oral pathology and oral radiology 20120701 |
| Coronarin D, a labdane diterpene, inhibits both constitutive and inducible nuclear factor-kappa B pathway activation, leading to potentiation of apoptosis, inhibition of invasion, and suppression of osteoclastogenesis. | Molecular cancer therapeutics 20081001 |
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