(1'S,9'S,10'S,15'S)-5'-ethoxy-9',15'-dimethyl-3'-[(2-methylpropan-2-yl)oxy]spiro[1,3-dioxolane-2,14'-tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5-triene]-17'-one

C27H38O5 — CID 71579025

IUPAC(1'S,9'S,10'S,15'S)-5'-ethoxy-9',15'-dimethyl-3'-[(2-methylpropan-2-yl)oxy]spiro[1,3-dioxolane-2,14'-tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5-triene]-17'-one
SMILESCCOc1cc2c(c(OC(C)(C)C)c1)[C@@H]1C[C@@]3(C)[C@@H](CCCC34OCCO4)[C@](C)(C2)C1=O
InChIInChI=1S/C27H38O5/c1-7-29-18-13-17-15-25(5)21-9-8-10-27(30-11-12-31-27)26(21,6)16-19(23(25)28)22(17)20(14-18)32-24(2,3)4/h13-14,19,21H,7-12,15-16H2,1-6H3/t19-,21-,25-,26-/m0/s1
InChIKeyUCADYTOMCKYSMA-ZHBFVTLJSA-N
MW442.60 g/mol
LogP5.43
Rot. Bonds3

About (1'S,9'S,10'S,15'S)-5'-ethoxy-9',15'-dimethyl-3'-[(2-methylpropan-2-yl)oxy]spiro[1,3-dioxolane-2,14'-tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5-triene]-17'-one

(1'S,9'S,10'S,15'S)-5'-ethoxy-9',15'-dimethyl-3'-[(2-methylpropan-2-yl)oxy]spiro[1,3-dioxolane-2,14'-tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5-triene]-17'-one (PubChem CID 71579025) has the molecular formula C27H38O5 and a molecular weight of 442.60 g/mol. Its IUPAC name is (1'S,9'S,10'S,15'S)-5'-ethoxy-9',15'-dimethyl-3'-[(2-methylpropan-2-yl)oxy]spiro[1,3-dioxolane-2,14'-tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5-triene]-17'-one.

Molecular Properties

Compound Name(1'S,9'S,10'S,15'S)-5'-ethoxy-9',15'-dimethyl-3'-[(2-methylpropan-2-yl)oxy]spiro[1,3-dioxolane-2,14'-tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5-triene]-17'-one
PubChem CID71579025
Molecular FormulaC27H38O5
Molecular Weight442.60 g/mol
Exact Mass442.27
IUPAC Name(1'S,9'S,10'S,15'S)-5'-ethoxy-9',15'-dimethyl-3'-[(2-methylpropan-2-yl)oxy]spiro[1,3-dioxolane-2,14'-tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5-triene]-17'-one
SMILESCCOc1cc2c(c(OC(C)(C)C)c1)[C@@H]1C[C@@]3(C)[C@@H](CCCC34OCCO4)[C@](C)(C2)C1=O
InChIInChI=1S/C27H38O5/c1-7-29-18-13-17-15-25(5)21-9-8-10-27(30-11-12-31-27)26(21,6)16-19(23(25)28)22(17)20(14-18)32-24(2,3)4/h13-14,19,21H,7-12,15-16H2,1-6H3/t19-,21-,25-,26-/m0/s1
InChIKeyUCADYTOMCKYSMA-ZHBFVTLJSA-N
XLogP5.43
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.60
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1'S,9'S,10'S,15'S)-5'-ethoxy-9',15'-dimethyl-3'-[(2-methylpropan-2-yl)oxy]spiro[1,3-dioxolane-2,14'-tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5-triene]-17'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1'S,9'S,10'S,15'S)-5'-ethoxy-9',15'-dimethyl-3'-[(2-methylpropan-2-yl)oxy]spiro[1,3-dioxolane-2,14'-tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5-triene]-17'-one?
The IUPAC name of (1'S,9'S,10'S,15'S)-5'-ethoxy-9',15'-dimethyl-3'-[(2-methylpropan-2-yl)oxy]spiro[1,3-dioxolane-2,14'-tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5-triene]-17'-one (CID 71579025) is (1'S,9'S,10'S,15'S)-5'-ethoxy-9',15'-dimethyl-3'-[(2-methylpropan-2-yl)oxy]spiro[1,3-dioxolane-2,14'-tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5-triene]-17'-one.
What is the SMILES notation for (1'S,9'S,10'S,15'S)-5'-ethoxy-9',15'-dimethyl-3'-[(2-methylpropan-2-yl)oxy]spiro[1,3-dioxolane-2,14'-tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5-triene]-17'-one?
The canonical SMILES for (1'S,9'S,10'S,15'S)-5'-ethoxy-9',15'-dimethyl-3'-[(2-methylpropan-2-yl)oxy]spiro[1,3-dioxolane-2,14'-tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5-triene]-17'-one is CCOc1cc2c(c(OC(C)(C)C)c1)[C@@H]1C[C@@]3(C)[C@@H](CCCC34OCCO4)[C@](C)(C2)C1=O.
What is the InChIKey of (1'S,9'S,10'S,15'S)-5'-ethoxy-9',15'-dimethyl-3'-[(2-methylpropan-2-yl)oxy]spiro[1,3-dioxolane-2,14'-tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5-triene]-17'-one?
The InChIKey is UCADYTOMCKYSMA-ZHBFVTLJSA-N. The full InChI is InChI=1S/C27H38O5/c1-7-29-18-13-17-15-25(5)21-9-8-10-27(30-11-12-31-27)26(21,6)16-19(23(25)28)22(17)20(14-18)32-24(2,3)4/h13-14,19,21H,7-12,15-16H2,1-6H3/t19-,21-,25-,26-/m0/s1.
What are the key properties of (1'S,9'S,10'S,15'S)-5'-ethoxy-9',15'-dimethyl-3'-[(2-methylpropan-2-yl)oxy]spiro[1,3-dioxolane-2,14'-tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5-triene]-17'-one?
(1'S,9'S,10'S,15'S)-5'-ethoxy-9',15'-dimethyl-3'-[(2-methylpropan-2-yl)oxy]spiro[1,3-dioxolane-2,14'-tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5-triene]-17'-one has a molecular weight of 442.60 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,9'S,10'S,15'S)-5'-ethoxy-9',15'-dimethyl-3'-[(2-methylpropan-2-yl)oxy]spiro[1,3-dioxolane-2,14'-tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5-triene]-17'-one is sourced from PubChem (CID 71579025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).