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

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

(1R,4R,5'S,6R,6'R,8S,10Z,13R,14E,16E,20R,21R,24S)-6'-ethyl-21,24-dihydroxy-5',11,13,22-tetramethylspiro[7,19-dioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one (PubChem CID 23231002) has the molecular formula C33H48O6 and a molecular weight of 540.74 g/mol. Its IUPAC name is (1R,4R,5'S,6R,6'R,8S,10Z,13R,14E,16E,20R,21R,24S)-6'-ethyl-21,24-dihydroxy-5',11,13,22-tetramethylspiro[7,19-dioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one.

Molecular Properties

Compound Name	(1R,4R,5'S,6R,6'R,8S,10Z,13R,14E,16E,20R,21R,24S)-6'-ethyl-21,24-dihydroxy-5',11,13,22-tetramethylspiro[7,19-dioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
PubChem CID	23231002
Molecular Formula	C33H48O6
Molecular Weight	540.74 g/mol
Exact Mass	540.35
IUPAC Name	(1R,4R,5'S,6R,6'R,8S,10Z,13R,14E,16E,20R,21R,24S)-6'-ethyl-21,24-dihydroxy-5',11,13,22-tetramethylspiro[7,19-dioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
SMILES	CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@H]1CC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@H](C)C/C(C)=C\C[C@H](C1)O2)[C@]43O
InChI	InChI=1S/C33H48O6/c1-6-29-22(4)12-13-32(39-29)18-24-16-26(38-32)11-10-21(3)14-20(2)8-7-9-25-19-37-31-30(35)23(5)15-27(28(34)17-24)33(25,31)36/h7-10,15,20,22,24,26-27,29-31,35-36H,6,11-14,16-19H2,1-5H3/b8-7+,21-10-,25-9+/t20-,22-,24+,26+,27-,29+,30+,31+,32+,33+/m0/s1
InChIKey	NTTZJURWJYFDDQ-LGHQZDJKSA-N
XLogP	5.59
TPSA	85.22 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	1
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.74
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

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

The IUPAC name of (1R,4R,5'S,6R,6'R,8S,10Z,13R,14E,16E,20R,21R,24S)-6'-ethyl-21,24-dihydroxy-5',11,13,22-tetramethylspiro[7,19-dioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one (CID 23231002) is (1R,4R,5'S,6R,6'R,8S,10Z,13R,14E,16E,20R,21R,24S)-6'-ethyl-21,24-dihydroxy-5',11,13,22-tetramethylspiro[7,19-dioxatetracyclo[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,4R,5'S,6R,6'R,8S,10Z,13R,14E,16E,20R,21R,24S)-6'-ethyl-21,24-dihydroxy-5',11,13,22-tetramethylspiro[7,19-dioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one?

The canonical SMILES for (1R,4R,5'S,6R,6'R,8S,10Z,13R,14E,16E,20R,21R,24S)-6'-ethyl-21,24-dihydroxy-5',11,13,22-tetramethylspiro[7,19-dioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one is CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@H]1CC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@H](C)C/C(C)=C\C[C@H](C1)O2)[C@]43O.

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

The InChIKey is NTTZJURWJYFDDQ-LGHQZDJKSA-N. The full InChI is InChI=1S/C33H48O6/c1-6-29-22(4)12-13-32(39-29)18-24-16-26(38-32)11-10-21(3)14-20(2)8-7-9-25-19-37-31-30(35)23(5)15-27(28(34)17-24)33(25,31)36/h7-10,15,20,22,24,26-27,29-31,35-36H,6,11-14,16-19H2,1-5H3/b8-7+,21-10-,25-9+/t20-,22-,24+,26+,27-,29+,30+,31+,32+,33+/m0/s1.

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

(1R,4R,5'S,6R,6'R,8S,10Z,13R,14E,16E,20R,21R,24S)-6'-ethyl-21,24-dihydroxy-5',11,13,22-tetramethylspiro[7,19-dioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one has a molecular weight of 540.74 g/mol, XLogP of 5.59, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,4R,5'S,6R,6'R,8S,10Z,13R,14E,16E,20R,21R,24S)-6'-ethyl-21,24-dihydroxy-5',11,13,22-tetramethylspiro[7,19-dioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one is sourced from PubChem (CID 23231002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).