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Home > Other Heterocycles > 17676-33-4
17676-33-4 | Spirosta-5,25(27)-diene-1,3-diol, (1β,3β)-
CAS No: 17676-33-4 Catalog No: AG0024WL MDL No:
Product Description
Catalog Number:
AG0024WL
Chemical Name:
Spirosta-5,25(27)-diene-1,3-diol, (1β,3β)-
CAS Number:
17676-33-4
Molecular Formula:
C27H40O4
Molecular Weight:
428.6041
IUPAC Name:
(1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16R)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14,16-diol
InChI:
InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,16,18-24,28-29H,1,6-14H2,2-4H3/t16-,18+,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1
InChI Key:
ALTRINCJVPIQNK-NHIXJPGBSA-N
SMILES:
O[C@H]1C[C@@H](O)[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3C[C@H]3[C@@H]2[C@H](C)[C@]2(O3)CCC(=C)CO2)C)C1)C
EC Number:
241-660-1
UNII:
D4E4KC2TUK
Properties
Complexity:
820
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
11
Defined Bond Stereocenter Count:
0
Exact Mass:
428.293g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
428.613g/mol
Monoisotopic Mass:
428.293g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Inhibition of proteoglycan synthesis affects neuronal outgrowth and astrocytic migration in organotypic cultures of fetal ventral mesencephalon. | Journal of neuroscience research 20080101 |
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