(1R,4S,5'S,6R,6'R,8R,10E,12R,13S,14E,16E,20R,21R,24S)-12-fluoro-21,24-dihydroxy-6'-(2-hydroxyethyl)-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one

C32H45FO8 — CID 10099657

About (1R,4S,5'S,6R,6'R,8R,10E,12R,13S,14E,16E,20R,21R,24S)-12-fluoro-21,24-dihydroxy-6'-(2-hydroxyethyl)-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one

(1R,4S,5'S,6R,6'R,8R,10E,12R,13S,14E,16E,20R,21R,24S)-12-fluoro-21,24-dihydroxy-6'-(2-hydroxyethyl)-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one (PubChem CID 10099657) has the molecular formula C32H45FO8 and a molecular weight of 576.70 g/mol. Its IUPAC name is (1R,4S,5'S,6R,6'R,8R,10E,12R,13S,14E,16E,20R,21R,24S)-12-fluoro-21,24-dihydroxy-6'-(2-hydroxyethyl)-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one.

Molecular Properties

• Compound Name: (1R,4S,5'S,6R,6'R,8R,10E,12R,13S,14E,16E,20R,21R,24S)-12-fluoro-21,24-dihydroxy-6'-(2-hydroxyethyl)-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
• PubChem CID: 10099657
• Molecular Formula: C32H45FO8
• Molecular Weight: 576.70 g/mol
• Exact Mass: 576.31
• IUPAC Name: (1R,4S,5'S,6R,6'R,8R,10E,12R,13S,14E,16E,20R,21R,24S)-12-fluoro-21,24-dihydroxy-6'-(2-hydroxyethyl)-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
• SMILES: CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)[C@H](F)[C@@H](C)/C=C/C=C4\CO[C@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](CCO)O1)C3
• InChI: InChI=1S/C32H45FO8/c1-18-10-12-31(41-26(18)11-13-34)16-24-15-23(40-31)9-8-20(3)27(33)19(2)6-5-7-22-17-38-29-28(35)21(4)14-25(30(36)39-24)32(22,29)37/h5-8,14,18-19,23-29,34-35,37H,9-13,15-17H2,1-4H3/b6-5+,20-8+,22-7+/t18-,19-,23+,24-,25-,26+,27+,28+,29+,31+,32+/m0/s1
• InChIKey: LGRXYSCBVSGEPH-AYQBKTLNSA-N
• XLogP: 3.84
• TPSA: 114.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.70
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,4S,5'S,6R,6'R,8R,10E,12R,13S,14E,16E,20R,21R,24S)-12-fluoro-21,24-dihydroxy-6'-(2-hydroxyethyl)-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one?

The IUPAC name of (1R,4S,5'S,6R,6'R,8R,10E,12R,13S,14E,16E,20R,21R,24S)-12-fluoro-21,24-dihydroxy-6'-(2-hydroxyethyl)-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one (CID 10099657) is (1R,4S,5'S,6R,6'R,8R,10E,12R,13S,14E,16E,20R,21R,24S)-12-fluoro-21,24-dihydroxy-6'-(2-hydroxyethyl)-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one.

What is the SMILES notation for (1R,4S,5'S,6R,6'R,8R,10E,12R,13S,14E,16E,20R,21R,24S)-12-fluoro-21,24-dihydroxy-6'-(2-hydroxyethyl)-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one?

The canonical SMILES for (1R,4S,5'S,6R,6'R,8R,10E,12R,13S,14E,16E,20R,21R,24S)-12-fluoro-21,24-dihydroxy-6'-(2-hydroxyethyl)-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one is CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)[C@H](F)[C@@H](C)/C=C/C=C4\CO[C@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](CCO)O1)C3.

What is the InChIKey of (1R,4S,5'S,6R,6'R,8R,10E,12R,13S,14E,16E,20R,21R,24S)-12-fluoro-21,24-dihydroxy-6'-(2-hydroxyethyl)-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one?

The InChIKey is LGRXYSCBVSGEPH-AYQBKTLNSA-N. The full InChI is InChI=1S/C32H45FO8/c1-18-10-12-31(41-26(18)11-13-34)16-24-15-23(40-31)9-8-20(3)27(33)19(2)6-5-7-22-17-38-29-28(35)21(4)14-25(30(36)39-24)32(22,29)37/h5-8,14,18-19,23-29,34-35,37H,9-13,15-17H2,1-4H3/b6-5+,20-8+,22-7+/t18-,19-,23+,24-,25-,26+,27+,28+,29+,31+,32+/m0/s1.

What are the key properties of (1R,4S,5'S,6R,6'R,8R,10E,12R,13S,14E,16E,20R,21R,24S)-12-fluoro-21,24-dihydroxy-6'-(2-hydroxyethyl)-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one?

(1R,4S,5'S,6R,6'R,8R,10E,12R,13S,14E,16E,20R,21R,24S)-12-fluoro-21,24-dihydroxy-6'-(2-hydroxyethyl)-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one has a molecular weight of 576.70 g/mol, XLogP of 3.84, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,4S,5'S,6R,6'R,8R,10E,12R,13S,14E,16E,20R,21R,24S)-12-fluoro-21,24-dihydroxy-6'-(2-hydroxyethyl)-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one is sourced from PubChem (CID 10099657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).