Melianodiol

PubChem CID: 15560457

Connections displayed (default: 10).

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Compound Synonyms	Melianodiol, 32764-64-0, (5R,9R,10R,13S,14S,17S)-17-[(2R,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-hydroxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one, Lanost-7-en-3-one, 21,23-epoxy-21,24,25-trihydroxy-, (13alpha,14beta,17alpha,20S,21R,23R,24S)-, (5R,9R,10R,13S,14S,17S)-17-((2R,3S,5R)-5-((S)-1,2-dihydroxy-2-methylpropyl)-2-hydroxytetrahydrofuran-3-yl)-4,4,10,13,14-pentamethyl-1,2,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one, AKOS040747146
Topological Polar Surface Area	87.0
Hydrogen Bond Donor Count	3.0
Inchi Key	AOVNJUKMQOLLCG-STEPOWRLSA-N
Rotatable Bond Count	3.0
Heavy Atom Count	35.0
Compound Name	Melianodiol
Exact Mass	488.35
Formal Charge	0.0
Monoisotopic Mass	488.35
Isotope Atom Count	0.0
Molecular Complexity	922.0
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	488.7
Database Name	npass_chem_all;pubchem
Covalent Unit Count	1.0
Defined Atom Stereocenter Count	10.0
Iupac Name	(5R,9R,10R,13S,14S,17S)-17-[(2R,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-hydroxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Total Atom Stereocenter Count	10.0
Total Bond Stereocenter Count	0.0
Inchi	InChI=1S/C30H48O5/c1-26(2)22-9-8-20-19(28(22,5)13-12-23(26)31)11-15-29(6)18(10-14-30(20,29)7)17-16-21(35-25(17)33)24(32)27(3,4)34/h8,17-19,21-22,24-25,32-34H,9-16H2,1-7H3/t17-,18-,19-,21+,22-,24-,25+,28+,29-,30+/m0/s1
Smiles	C[C@@]12CC[C@H]3C(=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)[C@]1(CC[C@H]2[C@@H]5C[C@@H](O[C@H]5O)[C@@H](C(C)(C)O)O)C
Xlogp	4.7
Defined Bond Stereocenter Count	0.0
Molecular Formula	C30H48O5

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150. Outgoing r'ship FOUND_IN to/from Symphyopappus Compressus (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 150

Plant Connections 150