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(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid; propane-1,2,3-triol

(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid; propane-1,2,3-triol

Systemtic Name:(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid; propane-1,2,3-triol
Openeye Name:(1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid; glycerol
CAS Name:(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid; propane-1,2,3-triol
IUPAC Name:(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid; propane-1,2,3-triol
Traditional Name:(1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid; glycerol
Formula: C23H38O5
MolecularWeight: 394.54482
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)C.C(C(CO)O)O


Isomeric SMILES

CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C.C(C(CO)O)O


InChI

InChI=1S/C20H30O2.C3H8O3/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;4-1-3(6)2-5/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);3-6H,1-2H2/t16-,17+,19+,20+;/m0./s1


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