3-[(10'R,13'S,17'R)-17'-(1-butoxyethoxy)-10',13'-dimethyl-spiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]prop-2-ynoic acid

Systemtic Name: 3-[(10'R,13'S,17'R)-17'-(1-butoxyethoxy)-10',13'-dimethyl-spiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]prop-2-ynoic acid Openeye Name: 3-[(10'R,13'S,17'R)-17'-(1-butoxyethoxy)-10',13'-dimethyl-spiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]prop-2-ynoic acid CAS Name: 3-[(10'R,13'S,17'R)-17'-(1-butoxyethoxy)-10',13'-dimethyl-17'-spiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]yl]-2-propynoic acid IUPAC Name: 3-[(10'R,13'S,17'R)-17'-(1-butoxyethoxy)-10',13'-dimethylspiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]prop-2-ynoic acid Traditional Name: 3-[(10'R,13'S,17'R)-17'-(1-butoxyethoxy)-10',13'-dimethyl-spiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]propiolic acid Formula: C30H44O6 MolecularWeight: 500.66676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C)OC1(CCC2C1(CCC3C2CC=C4C3(CCC5(C4)OCCO5)C)C)C#CC(=O)O

Isomeric SMILES

CCCCOC(C)O[C@@]1(CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CCC5(C4)OCCO5)C)C)C#CC(=O)O

InChI

InChI=1S/C30H44O6/c1-5-6-17-33-21(2)36-29(14-11-26(31)32)13-10-25-23-8-7-22-20-30(34-18-19-35-30)16-15-27(22,3)24(23)9-12-28(25,29)4/h7,21,23-25H,5-6,8-10,12-13,15-20H2,1-4H3,(H,31,32)/t21?,23?,24?,25?,27-,28-,29-/m0/s1