(1S,2S,4R,6S,12S,13S)-1-hydroxy-4,15-dimethyl-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[11.3.1.16,9.02,4]octadeca-9(18),15-diene-8,14-dione

C20H24O6 — CID 24853542

IUPAC(1S,2S,4R,6S,12S,13S)-1-hydroxy-4,15-dimethyl-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[11.3.1.16,9.02,4]octadeca-9(18),15-diene-8,14-dione
SMILESC=C(C)[C@@H]1CCC2=C[C@H](C[C@@]3(C)O[C@@H]3[C@]3(O)C=C(C)C(=O)[C@H]1O3)OC2=O
InChIInChI=1S/C20H24O6/c1-10(2)14-6-5-12-7-13(24-17(12)22)9-19(4)18(26-19)20(23)8-11(3)15(21)16(14)25-20/h7-8,13-14,16,18,23H,1,5-6,9H2,2-4H3/t13-,14+,16+,18+,19-,20+/m1/s1
InChIKeySMFDDGNKJZPWQS-HOWIIGCRSA-N
MW360.41 g/mol
LogP1.97
Rot. Bonds1

About (1S,2S,4R,6S,12S,13S)-1-hydroxy-4,15-dimethyl-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[11.3.1.16,9.02,4]octadeca-9(18),15-diene-8,14-dione

(1S,2S,4R,6S,12S,13S)-1-hydroxy-4,15-dimethyl-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[11.3.1.16,9.02,4]octadeca-9(18),15-diene-8,14-dione (PubChem CID 24853542) has the molecular formula C20H24O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is (1S,2S,4R,6S,12S,13S)-1-hydroxy-4,15-dimethyl-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[11.3.1.16,9.02,4]octadeca-9(18),15-diene-8,14-dione.

Molecular Properties

Compound Name(1S,2S,4R,6S,12S,13S)-1-hydroxy-4,15-dimethyl-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[11.3.1.16,9.02,4]octadeca-9(18),15-diene-8,14-dione
PubChem CID24853542
Molecular FormulaC20H24O6
Molecular Weight360.41 g/mol
Exact Mass360.16
IUPAC Name(1S,2S,4R,6S,12S,13S)-1-hydroxy-4,15-dimethyl-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[11.3.1.16,9.02,4]octadeca-9(18),15-diene-8,14-dione
SMILESC=C(C)[C@@H]1CCC2=C[C@H](C[C@@]3(C)O[C@@H]3[C@]3(O)C=C(C)C(=O)[C@H]1O3)OC2=O
InChIInChI=1S/C20H24O6/c1-10(2)14-6-5-12-7-13(24-17(12)22)9-19(4)18(26-19)20(23)8-11(3)15(21)16(14)25-20/h7-8,13-14,16,18,23H,1,5-6,9H2,2-4H3/t13-,14+,16+,18+,19-,20+/m1/s1
InChIKeySMFDDGNKJZPWQS-HOWIIGCRSA-N
XLogP1.97
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1S,2S,4R,6S,12S,13S)-1-hydroxy-4,15-dimethyl-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[11.3.1.16,9.02,4]octadeca-9(18),15-diene-8,14-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R,6S,12S,13S)-1-hydroxy-4,15-dimethyl-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[11.3.1.16,9.02,4]octadeca-9(18),15-diene-8,14-dione?
The IUPAC name of (1S,2S,4R,6S,12S,13S)-1-hydroxy-4,15-dimethyl-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[11.3.1.16,9.02,4]octadeca-9(18),15-diene-8,14-dione (CID 24853542) is (1S,2S,4R,6S,12S,13S)-1-hydroxy-4,15-dimethyl-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[11.3.1.16,9.02,4]octadeca-9(18),15-diene-8,14-dione.
What is the SMILES notation for (1S,2S,4R,6S,12S,13S)-1-hydroxy-4,15-dimethyl-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[11.3.1.16,9.02,4]octadeca-9(18),15-diene-8,14-dione?
The canonical SMILES for (1S,2S,4R,6S,12S,13S)-1-hydroxy-4,15-dimethyl-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[11.3.1.16,9.02,4]octadeca-9(18),15-diene-8,14-dione is C=C(C)[C@@H]1CCC2=C[C@H](C[C@@]3(C)O[C@@H]3[C@]3(O)C=C(C)C(=O)[C@H]1O3)OC2=O.
What is the InChIKey of (1S,2S,4R,6S,12S,13S)-1-hydroxy-4,15-dimethyl-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[11.3.1.16,9.02,4]octadeca-9(18),15-diene-8,14-dione?
The InChIKey is SMFDDGNKJZPWQS-HOWIIGCRSA-N. The full InChI is InChI=1S/C20H24O6/c1-10(2)14-6-5-12-7-13(24-17(12)22)9-19(4)18(26-19)20(23)8-11(3)15(21)16(14)25-20/h7-8,13-14,16,18,23H,1,5-6,9H2,2-4H3/t13-,14+,16+,18+,19-,20+/m1/s1.
What are the key properties of (1S,2S,4R,6S,12S,13S)-1-hydroxy-4,15-dimethyl-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[11.3.1.16,9.02,4]octadeca-9(18),15-diene-8,14-dione?
(1S,2S,4R,6S,12S,13S)-1-hydroxy-4,15-dimethyl-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[11.3.1.16,9.02,4]octadeca-9(18),15-diene-8,14-dione has a molecular weight of 360.41 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R,6S,12S,13S)-1-hydroxy-4,15-dimethyl-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[11.3.1.16,9.02,4]octadeca-9(18),15-diene-8,14-dione is sourced from PubChem (CID 24853542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).