(1S,3R,6R,8S,10R,12S,14R,15S,17R)-17-methoxy-3-methyl-6-phenyl-15-prop-2-enyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol

C24H32O7 — CID 11683448

IUPAC(1S,3R,6R,8S,10R,12S,14R,15S,17R)-17-methoxy-3-methyl-6-phenyl-15-prop-2-enyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol
SMILESC=CC[C@@H]1O[C@]2(OC)C[C@@H]3O[C@]4(C)CO[C@@H](c5ccccc5)O[C@H]4C[C@H]3O[C@H]2C[C@H]1O
InChIInChI=1S/C24H32O7/c1-4-8-17-16(25)11-21-24(26-3,31-17)13-19-18(28-21)12-20-23(2,30-19)14-27-22(29-20)15-9-6-5-7-10-15/h4-7,9-10,16-22,25H,1,8,11-14H2,2-3H3/t16-,17+,18-,19+,20+,21+,22-,23-,24-/m1/s1
InChIKeyHXCJSVIMHUHFFI-CJJXGDCZSA-N
MW432.51 g/mol
LogP2.87
Rot. Bonds4

About (1S,3R,6R,8S,10R,12S,14R,15S,17R)-17-methoxy-3-methyl-6-phenyl-15-prop-2-enyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol

(1S,3R,6R,8S,10R,12S,14R,15S,17R)-17-methoxy-3-methyl-6-phenyl-15-prop-2-enyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol (PubChem CID 11683448) has the molecular formula C24H32O7 and a molecular weight of 432.51 g/mol. Its IUPAC name is (1S,3R,6R,8S,10R,12S,14R,15S,17R)-17-methoxy-3-methyl-6-phenyl-15-prop-2-enyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol.

Molecular Properties

Compound Name(1S,3R,6R,8S,10R,12S,14R,15S,17R)-17-methoxy-3-methyl-6-phenyl-15-prop-2-enyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol
PubChem CID11683448
Molecular FormulaC24H32O7
Molecular Weight432.51 g/mol
Exact Mass432.21
IUPAC Name(1S,3R,6R,8S,10R,12S,14R,15S,17R)-17-methoxy-3-methyl-6-phenyl-15-prop-2-enyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol
SMILESC=CC[C@@H]1O[C@]2(OC)C[C@@H]3O[C@]4(C)CO[C@@H](c5ccccc5)O[C@H]4C[C@H]3O[C@H]2C[C@H]1O
InChIInChI=1S/C24H32O7/c1-4-8-17-16(25)11-21-24(26-3,31-17)13-19-18(28-21)12-20-23(2,30-19)14-27-22(29-20)15-9-6-5-7-10-15/h4-7,9-10,16-22,25H,1,8,11-14H2,2-3H3/t16-,17+,18-,19+,20+,21+,22-,23-,24-/m1/s1
InChIKeyHXCJSVIMHUHFFI-CJJXGDCZSA-N
XLogP2.87
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (1S,3R,6R,8S,10R,12S,14R,15S,17R)-17-methoxy-3-methyl-6-phenyl-15-prop-2-enyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,3R,6R,8S,10R,12S,14R,15S,17R)-17-methoxy-3-methyl-6-phenyl-15-prop-2-enyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol?
The IUPAC name of (1S,3R,6R,8S,10R,12S,14R,15S,17R)-17-methoxy-3-methyl-6-phenyl-15-prop-2-enyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol (CID 11683448) is (1S,3R,6R,8S,10R,12S,14R,15S,17R)-17-methoxy-3-methyl-6-phenyl-15-prop-2-enyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol.
What is the SMILES notation for (1S,3R,6R,8S,10R,12S,14R,15S,17R)-17-methoxy-3-methyl-6-phenyl-15-prop-2-enyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol?
The canonical SMILES for (1S,3R,6R,8S,10R,12S,14R,15S,17R)-17-methoxy-3-methyl-6-phenyl-15-prop-2-enyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol is C=CC[C@@H]1O[C@]2(OC)C[C@@H]3O[C@]4(C)CO[C@@H](c5ccccc5)O[C@H]4C[C@H]3O[C@H]2C[C@H]1O.
What is the InChIKey of (1S,3R,6R,8S,10R,12S,14R,15S,17R)-17-methoxy-3-methyl-6-phenyl-15-prop-2-enyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol?
The InChIKey is HXCJSVIMHUHFFI-CJJXGDCZSA-N. The full InChI is InChI=1S/C24H32O7/c1-4-8-17-16(25)11-21-24(26-3,31-17)13-19-18(28-21)12-20-23(2,30-19)14-27-22(29-20)15-9-6-5-7-10-15/h4-7,9-10,16-22,25H,1,8,11-14H2,2-3H3/t16-,17+,18-,19+,20+,21+,22-,23-,24-/m1/s1.
What are the key properties of (1S,3R,6R,8S,10R,12S,14R,15S,17R)-17-methoxy-3-methyl-6-phenyl-15-prop-2-enyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol?
(1S,3R,6R,8S,10R,12S,14R,15S,17R)-17-methoxy-3-methyl-6-phenyl-15-prop-2-enyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol has a molecular weight of 432.51 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,6R,8S,10R,12S,14R,15S,17R)-17-methoxy-3-methyl-6-phenyl-15-prop-2-enyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol is sourced from PubChem (CID 11683448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).