(5S,7'S)-14'-amino-18'-cyclopropyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-11(16),14-diene]-2-one

C26H35NO2 — CID 91144962

IUPAC(5S,7'S)-14'-amino-18'-cyclopropyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-11(16),14-diene]-2-one
SMILESCC[C@]12CCC3C4=C(C=C(N)CC4)CC(C4CC4)C3C1C1CC1[C@@]21CCC(=O)O1
InChIInChI=1S/C26H35NO2/c1-2-25-9-7-18-17-6-5-16(27)11-15(17)12-19(14-3-4-14)23(18)24(25)20-13-21(20)26(25)10-8-22(28)29-26/h11,14,18-21,23-24H,2-10,12-13,27H2,1H3/t18?,19?,20?,21?,23?,24?,25-,26-/m0/s1
InChIKeySMHHBSRNJJHADB-XZSKNOADSA-N
MW393.57 g/mol
LogP5.11
Rot. Bonds2

About (5S,7'S)-14'-amino-18'-cyclopropyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-11(16),14-diene]-2-one

(5S,7'S)-14'-amino-18'-cyclopropyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-11(16),14-diene]-2-one (PubChem CID 91144962) has the molecular formula C26H35NO2 and a molecular weight of 393.57 g/mol. Its IUPAC name is (5S,7'S)-14'-amino-18'-cyclopropyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-11(16),14-diene]-2-one.

Molecular Properties

Compound Name(5S,7'S)-14'-amino-18'-cyclopropyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-11(16),14-diene]-2-one
PubChem CID91144962
Molecular FormulaC26H35NO2
Molecular Weight393.57 g/mol
Exact Mass393.27
IUPAC Name(5S,7'S)-14'-amino-18'-cyclopropyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-11(16),14-diene]-2-one
SMILESCC[C@]12CCC3C4=C(C=C(N)CC4)CC(C4CC4)C3C1C1CC1[C@@]21CCC(=O)O1
InChIInChI=1S/C26H35NO2/c1-2-25-9-7-18-17-6-5-16(27)11-15(17)12-19(14-3-4-14)23(18)24(25)20-13-21(20)26(25)10-8-22(28)29-26/h11,14,18-21,23-24H,2-10,12-13,27H2,1H3/t18?,19?,20?,21?,23?,24?,25-,26-/m0/s1
InChIKeySMHHBSRNJJHADB-XZSKNOADSA-N
XLogP5.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.57
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S,7'S)-14'-amino-18'-cyclopropyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-11(16),14-diene]-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S,7'S)-14'-amino-18'-cyclopropyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-11(16),14-diene]-2-one?
The IUPAC name of (5S,7'S)-14'-amino-18'-cyclopropyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-11(16),14-diene]-2-one (CID 91144962) is (5S,7'S)-14'-amino-18'-cyclopropyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-11(16),14-diene]-2-one.
What is the SMILES notation for (5S,7'S)-14'-amino-18'-cyclopropyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-11(16),14-diene]-2-one?
The canonical SMILES for (5S,7'S)-14'-amino-18'-cyclopropyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-11(16),14-diene]-2-one is CC[C@]12CCC3C4=C(C=C(N)CC4)CC(C4CC4)C3C1C1CC1[C@@]21CCC(=O)O1.
What is the InChIKey of (5S,7'S)-14'-amino-18'-cyclopropyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-11(16),14-diene]-2-one?
The InChIKey is SMHHBSRNJJHADB-XZSKNOADSA-N. The full InChI is InChI=1S/C26H35NO2/c1-2-25-9-7-18-17-6-5-16(27)11-15(17)12-19(14-3-4-14)23(18)24(25)20-13-21(20)26(25)10-8-22(28)29-26/h11,14,18-21,23-24H,2-10,12-13,27H2,1H3/t18?,19?,20?,21?,23?,24?,25-,26-/m0/s1.
What are the key properties of (5S,7'S)-14'-amino-18'-cyclopropyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-11(16),14-diene]-2-one?
(5S,7'S)-14'-amino-18'-cyclopropyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-11(16),14-diene]-2-one has a molecular weight of 393.57 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7'S)-14'-amino-18'-cyclopropyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-11(16),14-diene]-2-one is sourced from PubChem (CID 91144962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).