3-[(2R,4bS,6aR,10bR,12aR)-2-ethyl-6a-(hydroxymethyl)-2,4b,9,9,10b,12a-hexamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl]propanoic acid

Systemtic Name: 3-[(2R,4bS,6aR,10bR,12aR)-2-ethyl-6a-(hydroxymethyl)-2,4b,9,9,10b,12a-hexamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl]propanoic acid Openeye Name: 3-[(2R,4bS,6aR,10bR,12aR)-2-ethyl-6a-(hydroxymethyl)-2,4b,9,9,10b,12a-hexamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl]propanoic acid CAS Name: 3-[(2R,4bS,6aR,10bR,12aR)-2-ethyl-6a-(hydroxymethyl)-2,4b,9,9,10b,12a-hexamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl]propanoic acid IUPAC Name: 3-[(2R,4bS,6aR,10bR,12aR)-2-ethyl-6a-(hydroxymethyl)-2,4b,9,9,10b,12a-hexamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl]propanoic acid Traditional Name: 3-[(2R,4bS,6aR,10bR,12aR)-2-ethyl-2,4b,9,9,10b,12a-hexamethyl-6a-methylol-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl]propionic acid Formula: C30H52O3 MolecularWeight: 460.73208

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC2C(C1CCC(=O)O)(CCC3(C2(CCC4(C3CC(CC4)(C)C)CO)C)C)C)C

Isomeric SMILES

CC[C@@]1(CCC2[C@@](C1CCC(=O)O)(CC[C@]3([C@]2(CC[C@]4(C3CC(CC4)(C)C)CO)C)C)C)C

InChI

InChI=1S/C30H52O3/c1-8-26(4)12-11-22-27(5,21(26)9-10-24(32)33)14-15-29(7)23-19-25(2,3)13-17-30(23,20-31)18-16-28(22,29)6/h21-23,31H,8-20H2,1-7H3,(H,32,33)/t21?,22?,23?,26-,27-,28+,29-,30+/m1/s1