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1007387-95-2 | 8,10-Methano-7H-pentaleno[1,2,3-cd]pyrano[3,4-h]benzofuran-7-acetic acid, 4-(3-furanyl)tetradecahydro-α,9a,11b-trihydroxy-4a,6b,8-trimethyl-2,12-dioxo-, methyl ester, (αS,4S,4aS,6aR,6bS,7R,8R,9aS,9bS,10R,11aR,11bS)-
CAS No: 1007387-95-2 Catalog No: AG0002QP MDL No:MFCD20274890
Product Description
Catalog Number:
AG0002QP
Chemical Name:
8,10-Methano-7H-pentaleno[1,2,3-cd]pyrano[3,4-h]benzofuran-7-acetic acid, 4-(3-furanyl)tetradecahydro-α,9a,11b-trihydroxy-4a,6b,8-trimethyl-2,12-dioxo-, methyl ester, (αS,4S,4aS,6aR,6bS,7R,8R,9aS,9bS,10R,11aR,11bS)-
CAS Number:
1007387-95-2
MDL Number:
MFCD20274890
IUPAC Name:
methyl (2S)-2-[(1S,2S,3S,4R,7S,8S,12R,14R,16R,17R,18S)-8-(furan-3-yl)-1,3-dihydroxy-7,16,18-trimethyl-10,15-dioxo-9,13-dioxahexacyclo[14.2.1.02,14.03,12.04,18.07,12]nonadecan-17-yl]-2-hydroxyacetate
InChI:
InChI=1S/C27H32O10/c1-22-11-25(32)18-16(19(22)30)37-26-9-14(28)36-20(12-6-8-35-10-12)23(26,2)7-5-13(27(18,26)33)24(25,3)17(22)15(29)21(31)34-4/h6,8,10,13,15-18,20,29,32-33H,5,7,9,11H2,1-4H3/t13-,15+,16-,17+,18+,20+,22-,23+,24-,25+,26-,27+/m1/s1
InChI Key:
HOUJKWFMLMSPNW-DUHTYQCCSA-N
Properties
Complexity:
1120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
12
Defined Bond Stereocenter Count:
0
Exact Mass:
516.2g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
516.543g/mol
Monoisotopic Mass:
516.2g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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