[(4aS,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methyl acetate

PubChem CID: 15382797

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Topological Polar Surface Area	72.8
Hydrogen Bond Donor Count	1.0
Heavy Atom Count	39.0
Isotope Atom Count	0.0
Molecular Complexity	1060.0
Database Name	cmaup_ingredients;pubchem
Defined Atom Stereocenter Count	9.0
Iupac Name	[(4aS,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methyl acetate
Prediction Hob	0.0
Xlogp	7.6
Molecular Formula	C34H54O5
Prediction Swissadme	0.0
Inchi Key	ITOAEQXJBSLHQR-PZXTYGFMSA-N
Fcsp3	0.8823529411764706
Logs	-5.933
Rotatable Bond Count	5.0
Logd	4.804
Compound Name	[(4aS,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methyl acetate
Prediction Hob Swissadme	0.0
Exact Mass	542.397
Formal Charge	0.0
Monoisotopic Mass	542.397
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	542.8
Covalent Unit Count	1.0
Total Atom Stereocenter Count	9.0
Total Bond Stereocenter Count	0.0
Esol	-7.631866200000002
Inchi	InChI=1S/C34H54O5/c1-21(35)38-20-34-17-16-29(3,4)18-24(34)23-10-11-26-31(7)14-13-28(39-22(2)36)30(5,6)25(31)12-15-32(26,8)33(23,9)19-27(34)37/h10,24-28,37H,11-20H2,1-9H3/t24-,25-,26+,27+,28-,31-,32+,33+,34+/m0/s1
Smiles	CC(=O)OC[C@]12CCC(C[C@H]1C3=CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(C[C@H]2O)C)C)(C)C)OC(=O)C)C)(C)C
Nring	5.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Lepisorus Thunbergianus (Plant) Rel Props:Source_db:cmaup_ingredients
2. Outgoing r'ship FOUND_IN to/from Rhododendron Aureum (Plant) Rel Props:Source_db:cmaup_ingredients

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