(8R,9S,10R,13S,14S,17S)-10-ethyl-17-methoxy-13-methylspiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]

C23H36O3 — CID 90346949

About (8R,9S,10R,13S,14S,17S)-10-ethyl-17-methoxy-13-methylspiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]

(8R,9S,10R,13S,14S,17S)-10-ethyl-17-methoxy-13-methylspiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane] (PubChem CID 90346949) has the molecular formula C23H36O3 and a molecular weight of 360.54 g/mol. Its IUPAC name is (8R,9S,10R,13S,14S,17S)-10-ethyl-17-methoxy-13-methylspiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane].

Molecular Properties

• Compound Name: (8R,9S,10R,13S,14S,17S)-10-ethyl-17-methoxy-13-methylspiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]
• PubChem CID: 90346949
• Molecular Formula: C23H36O3
• Molecular Weight: 360.54 g/mol
• Exact Mass: 360.27
• IUPAC Name: (8R,9S,10R,13S,14S,17S)-10-ethyl-17-methoxy-13-methylspiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]
• SMILES: CC[C@]12CCC3(CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC)CC[C@@H]12)OCCO3
• InChI: InChI=1S/C23H36O3/c1-4-22-11-12-23(25-13-14-26-23)15-16(22)5-6-17-18-7-8-20(24-3)21(18,2)10-9-19(17)22/h5,17-20H,4,6-15H2,1-3H3/t17-,18-,19-,20-,21-,22-/m0/s1
• InChIKey: TUOBKQOWNXHXKG-WLNPFYQQSA-N
• XLogP: 5.10
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	360.54
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (8R,9S,10R,13S,14S,17S)-10-ethyl-17-methoxy-13-methylspiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]?

The IUPAC name of (8R,9S,10R,13S,14S,17S)-10-ethyl-17-methoxy-13-methylspiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane] (CID 90346949) is (8R,9S,10R,13S,14S,17S)-10-ethyl-17-methoxy-13-methylspiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane].

What is the SMILES notation for (8R,9S,10R,13S,14S,17S)-10-ethyl-17-methoxy-13-methylspiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]?

The canonical SMILES for (8R,9S,10R,13S,14S,17S)-10-ethyl-17-methoxy-13-methylspiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane] is CC[C@]12CCC3(CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC)CC[C@@H]12)OCCO3.

What is the InChIKey of (8R,9S,10R,13S,14S,17S)-10-ethyl-17-methoxy-13-methylspiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]?

The InChIKey is TUOBKQOWNXHXKG-WLNPFYQQSA-N. The full InChI is InChI=1S/C23H36O3/c1-4-22-11-12-23(25-13-14-26-23)15-16(22)5-6-17-18-7-8-20(24-3)21(18,2)10-9-19(17)22/h5,17-20H,4,6-15H2,1-3H3/t17-,18-,19-,20-,21-,22-/m0/s1.

What are the key properties of (8R,9S,10R,13S,14S,17S)-10-ethyl-17-methoxy-13-methylspiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]?

(8R,9S,10R,13S,14S,17S)-10-ethyl-17-methoxy-13-methylspiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane] has a molecular weight of 360.54 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (8R,9S,10R,13S,14S,17S)-10-ethyl-17-methoxy-13-methylspiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane] is sourced from PubChem (CID 90346949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).