(3-hydroxy-8,13,14,15-tetramethoxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl) acetate

C24H30O7 — CID 11327880

IUPAC(3-hydroxy-8,13,14,15-tetramethoxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl) acetate
SMILESCCCc1cc(OC(C)=O)c2c(c1O)-c1c(cc(OC)c(OC)c1OC)CCC2OC
InChIInChI=1S/C24H30O7/c1-7-8-15-12-17(31-13(2)25)20-16(27-3)10-9-14-11-18(28-4)23(29-5)24(30-6)19(14)21(20)22(15)26/h11-12,16,26H,7-10H2,1-6H3
InChIKeyOTBUZFWWFGRFRZ-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.60
Rot. Bonds7

About (3-hydroxy-8,13,14,15-tetramethoxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl) acetate

(3-hydroxy-8,13,14,15-tetramethoxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl) acetate (PubChem CID 11327880) has the molecular formula C24H30O7 and a molecular weight of 430.50 g/mol. Its IUPAC name is (3-hydroxy-8,13,14,15-tetramethoxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl) acetate.

Molecular Properties

Compound Name(3-hydroxy-8,13,14,15-tetramethoxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl) acetate
PubChem CID11327880
Molecular FormulaC24H30O7
Molecular Weight430.50 g/mol
Exact Mass430.20
IUPAC Name(3-hydroxy-8,13,14,15-tetramethoxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl) acetate
SMILESCCCc1cc(OC(C)=O)c2c(c1O)-c1c(cc(OC)c(OC)c1OC)CCC2OC
InChIInChI=1S/C24H30O7/c1-7-8-15-12-17(31-13(2)25)20-16(27-3)10-9-14-11-18(28-4)23(29-5)24(30-6)19(14)21(20)22(15)26/h11-12,16,26H,7-10H2,1-6H3
InChIKeyOTBUZFWWFGRFRZ-UHFFFAOYSA-N
XLogP4.60
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3-hydroxy-8,13,14,15-tetramethoxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl) acetate with MolForge

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Related Compounds

(8S)-6-ethoxy-8,13,14,15-tetramethoxy-4-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-3-ol
CID 101186647
(8S)-8-ethoxy-3,13,14,15-tetramethoxy-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-6-ol
CID 101186634
tri(propan-2-yl)-[(8,13,14,15-tetramethoxy-3-propan-2-yloxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)oxy]silane
CID 11444665
2-hydroxy-5,6-dimethoxy-3-propylbenzamide
CID 18625107
7-hydroxy-2,3,4-trimethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 71271654
(10S)-17-hydroxy-3,4,5,16-tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaen-13-one
CID 70683790
N-(6-hydroxy-5,13,14,15-tetramethoxy-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)acetamide
CID 11188363
[(9S,10R)-9,10-dihydroxy-3,5,14,15,16-pentamethoxy-9,10-dimethyl-4-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] acetate
CID 10254399
N-[(10S)-3,4,5,14,16-pentamethoxy-15-oxo-11-oxatricyclo[10.5.0.02,7]heptadeca-1(12),2,4,6,13,16-hexaen-10-yl]acetamide
CID 10599452
N-[(10S)-3,4,5,14-tetramethoxy-13-oxo-10-tetracyclo[9.5.0.02,7.012,16]hexadeca-1(11),2,4,6-tetraenyl]acetamide
CID 10046607
(2-methoxy-6-propylphenyl) acetate
CID 170893292
N-[(7S)-10-(ethylamino)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
CID 6992961

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-8,13,14,15-tetramethoxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl) acetate?
The IUPAC name of (3-hydroxy-8,13,14,15-tetramethoxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl) acetate (CID 11327880) is (3-hydroxy-8,13,14,15-tetramethoxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl) acetate.
What is the SMILES notation for (3-hydroxy-8,13,14,15-tetramethoxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl) acetate?
The canonical SMILES for (3-hydroxy-8,13,14,15-tetramethoxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl) acetate is CCCc1cc(OC(C)=O)c2c(c1O)-c1c(cc(OC)c(OC)c1OC)CCC2OC.
What is the InChIKey of (3-hydroxy-8,13,14,15-tetramethoxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl) acetate?
The InChIKey is OTBUZFWWFGRFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O7/c1-7-8-15-12-17(31-13(2)25)20-16(27-3)10-9-14-11-18(28-4)23(29-5)24(30-6)19(14)21(20)22(15)26/h11-12,16,26H,7-10H2,1-6H3.
What are the key properties of (3-hydroxy-8,13,14,15-tetramethoxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl) acetate?
(3-hydroxy-8,13,14,15-tetramethoxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl) acetate has a molecular weight of 430.50 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-8,13,14,15-tetramethoxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl) acetate is sourced from PubChem (CID 11327880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).