(6S,7E,14S,15E)-2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone

C34H32O10 — CID 46867459

IUPAC(6S,7E,14S,15E)-2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone
SMILESCOC1=C(OC)C(=O)C2(C1=O)/C(OC)=C\[C@@H](c1ccccc1)C1(C(=O)C(OC)=C(OC)C1=O)/C(OC)=C\[C@H]2c1ccccc1
InChIInChI=1S/C34H32O10/c1-39-23-17-21(19-13-9-7-10-14-19)34(31(37)27(43-5)28(44-6)32(34)38)24(40-2)18-22(20-15-11-8-12-16-20)33(23)29(35)25(41-3)26(42-4)30(33)36/h7-18,21-22H,1-6H3/b23-17+,24-18+/t21-,22-/m0/s1
InChIKeyOASRMBZSJNAYKB-PPNOQCFFSA-N
MW600.62 g/mol
LogP3.91
Rot. Bonds8

About (6S,7E,14S,15E)-2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone

(6S,7E,14S,15E)-2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone (PubChem CID 46867459) has the molecular formula C34H32O10 and a molecular weight of 600.62 g/mol. Its IUPAC name is (6S,7E,14S,15E)-2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone.

Molecular Properties

Compound Name(6S,7E,14S,15E)-2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone
PubChem CID46867459
Molecular FormulaC34H32O10
Molecular Weight600.62 g/mol
Exact Mass600.20
IUPAC Name(6S,7E,14S,15E)-2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone
SMILESCOC1=C(OC)C(=O)C2(C1=O)/C(OC)=C\[C@@H](c1ccccc1)C1(C(=O)C(OC)=C(OC)C1=O)/C(OC)=C\[C@H]2c1ccccc1
InChIInChI=1S/C34H32O10/c1-39-23-17-21(19-13-9-7-10-14-19)34(31(37)27(43-5)28(44-6)32(34)38)24(40-2)18-22(20-15-11-8-12-16-20)33(23)29(35)25(41-3)26(42-4)30(33)36/h7-18,21-22H,1-6H3/b23-17+,24-18+/t21-,22-/m0/s1
InChIKeyOASRMBZSJNAYKB-PPNOQCFFSA-N
XLogP3.91
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.62
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (6S,7E,14S,15E)-2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S,7E,14S,15E)-2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone?
The IUPAC name of (6S,7E,14S,15E)-2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone (CID 46867459) is (6S,7E,14S,15E)-2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone.
What is the SMILES notation for (6S,7E,14S,15E)-2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone?
The canonical SMILES for (6S,7E,14S,15E)-2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone is COC1=C(OC)C(=O)C2(C1=O)/C(OC)=C\[C@@H](c1ccccc1)C1(C(=O)C(OC)=C(OC)C1=O)/C(OC)=C\[C@H]2c1ccccc1.
What is the InChIKey of (6S,7E,14S,15E)-2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone?
The InChIKey is OASRMBZSJNAYKB-PPNOQCFFSA-N. The full InChI is InChI=1S/C34H32O10/c1-39-23-17-21(19-13-9-7-10-14-19)34(31(37)27(43-5)28(44-6)32(34)38)24(40-2)18-22(20-15-11-8-12-16-20)33(23)29(35)25(41-3)26(42-4)30(33)36/h7-18,21-22H,1-6H3/b23-17+,24-18+/t21-,22-/m0/s1.
What are the key properties of (6S,7E,14S,15E)-2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone?
(6S,7E,14S,15E)-2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone has a molecular weight of 600.62 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7E,14S,15E)-2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone is sourced from PubChem (CID 46867459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).