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155521-46-3 | Dammara-13(17),25-dien-3-one, 11,23,24-trihydroxy-, (8α,9β,11β,14β,23S,24S)-
CAS No: 155521-46-3 Catalog No: AG001NZA MDL No:
Product Description
Catalog Number:
AG001NZA
Chemical Name:
Dammara-13(17),25-dien-3-one, 11,23,24-trihydroxy-, (8α,9β,11β,14β,23S,24S)-
CAS Number:
155521-46-3
Molecular Formula:
C30H48O4
Molecular Weight:
472.6997
IUPAC Name:
(5R,8S,9S,10S,11S,14R)-17-[(2R,4S,5S)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C30H48O4/c1-17(2)25(34)21(31)15-18(3)19-9-13-29(7)20(19)16-22(32)26-28(6)12-11-24(33)27(4,5)23(28)10-14-30(26,29)8/h18,21-23,25-26,31-32,34H,1,9-16H2,2-8H3/t18-,21+,22+,23+,25+,26+,28+,29+,30+/m1/s1
InChI Key:
WLNDANGOFVYODW-XCXJHVMUSA-N
SMILES:
CC(=C)[C@@H]([C@H](C[C@H](C1=C2C[C@H](O)[C@@H]3[C@]([C@]2(CC1)C)(C)CC[C@@H]1[C@]3(C)CCC(=O)C1(C)C)C)O)O
Properties
Complexity:
902
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
0
Exact Mass:
472.355g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
472.71g/mol
Monoisotopic Mass:
472.355g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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