(2R,12R)-5-hydroxy-6,8,8,10,10-pentamethyl-2-phenyl-12-propan-2-yl-3,12-dihydro-2H-pyrano[2,3-a]xanthene-4,9,11-trione

C30H32O6 — CID 162967343

IUPAC(2R,12R)-5-hydroxy-6,8,8,10,10-pentamethyl-2-phenyl-12-propan-2-yl-3,12-dihydro-2H-pyrano[2,3-a]xanthene-4,9,11-trione
SMILESCc1c(O)c2c(c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]3C(C)C)O[C@@H](c1ccccc1)CC2=O
InChIInChI=1S/C30H32O6/c1-14(2)19-21-24(36-27-22(19)26(33)29(4,5)28(34)30(27,6)7)15(3)23(32)20-17(31)13-18(35-25(20)21)16-11-9-8-10-12-16/h8-12,14,18-19,32H,13H2,1-7H3/t18-,19-/m1/s1
InChIKeyOPEYJCQUCFYYHO-RTBURBONSA-N
MW488.58 g/mol
LogP6.00
Rot. Bonds2

About (2R,12R)-5-hydroxy-6,8,8,10,10-pentamethyl-2-phenyl-12-propan-2-yl-3,12-dihydro-2H-pyrano[2,3-a]xanthene-4,9,11-trione

(2R,12R)-5-hydroxy-6,8,8,10,10-pentamethyl-2-phenyl-12-propan-2-yl-3,12-dihydro-2H-pyrano[2,3-a]xanthene-4,9,11-trione (PubChem CID 162967343) has the molecular formula C30H32O6 and a molecular weight of 488.58 g/mol. Its IUPAC name is (2R,12R)-5-hydroxy-6,8,8,10,10-pentamethyl-2-phenyl-12-propan-2-yl-3,12-dihydro-2H-pyrano[2,3-a]xanthene-4,9,11-trione.

Molecular Properties

Compound Name(2R,12R)-5-hydroxy-6,8,8,10,10-pentamethyl-2-phenyl-12-propan-2-yl-3,12-dihydro-2H-pyrano[2,3-a]xanthene-4,9,11-trione
PubChem CID162967343
Molecular FormulaC30H32O6
Molecular Weight488.58 g/mol
Exact Mass488.22
IUPAC Name(2R,12R)-5-hydroxy-6,8,8,10,10-pentamethyl-2-phenyl-12-propan-2-yl-3,12-dihydro-2H-pyrano[2,3-a]xanthene-4,9,11-trione
SMILESCc1c(O)c2c(c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]3C(C)C)O[C@@H](c1ccccc1)CC2=O
InChIInChI=1S/C30H32O6/c1-14(2)19-21-24(36-27-22(19)26(33)29(4,5)28(34)30(27,6)7)15(3)23(32)20-17(31)13-18(35-25(20)21)16-11-9-8-10-12-16/h8-12,14,18-19,32H,13H2,1-7H3/t18-,19-/m1/s1
InChIKeyOPEYJCQUCFYYHO-RTBURBONSA-N
XLogP6.00
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.58
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,12R)-5-hydroxy-6,8,8,10,10-pentamethyl-2-phenyl-12-propan-2-yl-3,12-dihydro-2H-pyrano[2,3-a]xanthene-4,9,11-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,12R)-5-hydroxy-6,8,8,10,10-pentamethyl-2-phenyl-12-propan-2-yl-3,12-dihydro-2H-pyrano[2,3-a]xanthene-4,9,11-trione?
The IUPAC name of (2R,12R)-5-hydroxy-6,8,8,10,10-pentamethyl-2-phenyl-12-propan-2-yl-3,12-dihydro-2H-pyrano[2,3-a]xanthene-4,9,11-trione (CID 162967343) is (2R,12R)-5-hydroxy-6,8,8,10,10-pentamethyl-2-phenyl-12-propan-2-yl-3,12-dihydro-2H-pyrano[2,3-a]xanthene-4,9,11-trione.
What is the SMILES notation for (2R,12R)-5-hydroxy-6,8,8,10,10-pentamethyl-2-phenyl-12-propan-2-yl-3,12-dihydro-2H-pyrano[2,3-a]xanthene-4,9,11-trione?
The canonical SMILES for (2R,12R)-5-hydroxy-6,8,8,10,10-pentamethyl-2-phenyl-12-propan-2-yl-3,12-dihydro-2H-pyrano[2,3-a]xanthene-4,9,11-trione is Cc1c(O)c2c(c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]3C(C)C)O[C@@H](c1ccccc1)CC2=O.
What is the InChIKey of (2R,12R)-5-hydroxy-6,8,8,10,10-pentamethyl-2-phenyl-12-propan-2-yl-3,12-dihydro-2H-pyrano[2,3-a]xanthene-4,9,11-trione?
The InChIKey is OPEYJCQUCFYYHO-RTBURBONSA-N. The full InChI is InChI=1S/C30H32O6/c1-14(2)19-21-24(36-27-22(19)26(33)29(4,5)28(34)30(27,6)7)15(3)23(32)20-17(31)13-18(35-25(20)21)16-11-9-8-10-12-16/h8-12,14,18-19,32H,13H2,1-7H3/t18-,19-/m1/s1.
What are the key properties of (2R,12R)-5-hydroxy-6,8,8,10,10-pentamethyl-2-phenyl-12-propan-2-yl-3,12-dihydro-2H-pyrano[2,3-a]xanthene-4,9,11-trione?
(2R,12R)-5-hydroxy-6,8,8,10,10-pentamethyl-2-phenyl-12-propan-2-yl-3,12-dihydro-2H-pyrano[2,3-a]xanthene-4,9,11-trione has a molecular weight of 488.58 g/mol, XLogP of 6.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,12R)-5-hydroxy-6,8,8,10,10-pentamethyl-2-phenyl-12-propan-2-yl-3,12-dihydro-2H-pyrano[2,3-a]xanthene-4,9,11-trione is sourced from PubChem (CID 162967343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).