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Home > Other Heterocycles > 6941-29-3
6941-29-3 | (5r,8r,9r,10s,13s,14s,17s)-13-methyltetradecahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione
CAS No: 6941-29-3 Catalog No: AG005ZRA MDL No:
Product Description
Catalog Number:
AG005ZRA
Chemical Name:
(5r,8r,9r,10s,13s,14s,17s)-13-methyltetradecahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione
CAS Number:
6941-29-3
Molecular Formula:
C21H30O3
Molecular Weight:
330.4611
IUPAC Name:
(5R,8R,9R,10S,13S,14S,17S)-13-methylspiro[1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
InChI:
InChI=1S/C21H30O3/c1-20-9-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(20)7-10-21(20)11-8-19(23)24-21/h13,15-18H,2-12H2,1H3/t13-,15+,16-,17-,18+,20+,21+/m1/s1
InChI Key:
JSXFOYUNEYPEME-DKBPOPGQSA-N
SMILES:
O=C1CC[C@H]2[C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@]12CCC(=O)O1)C
NSC Number:
59610
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
330.219g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.468g/mol
Monoisotopic Mass:
330.219g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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