(2R,4aR,4bS,10aS,10bS,12aR)-6,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-4a,9,10,11-tetrahydronaphtho[1,2-h]isochromene-1,4,5,8-tetrone

C24H30O7 — CID 11647652

IUPAC(2R,4aR,4bS,10aS,10bS,12aR)-6,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-4a,9,10,11-tetrahydronaphtho[1,2-h]isochromene-1,4,5,8-tetrone
SMILESC=C1C[C@]2(O)[C@@]3(C)CCC(=O)C(C)(C)C3=C(O)C(=O)[C@@]2(C)[C@@H]2C(=O)O[C@H](C)C(=O)[C@@]12C
InChIInChI=1S/C24H30O7/c1-11-10-24(30)21(5)9-8-13(25)20(3,4)15(21)14(26)18(28)23(24,7)16-19(29)31-12(2)17(27)22(11,16)6/h12,16,26,30H,1,8-10H2,2-7H3/t12-,16-,21+,22+,23-,24+/m1/s1
InChIKeyBSUMMOUMVQVPGZ-VSFXBCNKSA-N
MW430.50 g/mol
LogP2.61
Rot. Bonds

About (2R,4aR,4bS,10aS,10bS,12aR)-6,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-4a,9,10,11-tetrahydronaphtho[1,2-h]isochromene-1,4,5,8-tetrone

(2R,4aR,4bS,10aS,10bS,12aR)-6,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-4a,9,10,11-tetrahydronaphtho[1,2-h]isochromene-1,4,5,8-tetrone (PubChem CID 11647652) has the molecular formula C24H30O7 and a molecular weight of 430.50 g/mol. Its IUPAC name is (2R,4aR,4bS,10aS,10bS,12aR)-6,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-4a,9,10,11-tetrahydronaphtho[1,2-h]isochromene-1,4,5,8-tetrone.

Molecular Properties

Compound Name(2R,4aR,4bS,10aS,10bS,12aR)-6,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-4a,9,10,11-tetrahydronaphtho[1,2-h]isochromene-1,4,5,8-tetrone
PubChem CID11647652
Molecular FormulaC24H30O7
Molecular Weight430.50 g/mol
Exact Mass430.20
IUPAC Name(2R,4aR,4bS,10aS,10bS,12aR)-6,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-4a,9,10,11-tetrahydronaphtho[1,2-h]isochromene-1,4,5,8-tetrone
SMILESC=C1C[C@]2(O)[C@@]3(C)CCC(=O)C(C)(C)C3=C(O)C(=O)[C@@]2(C)[C@@H]2C(=O)O[C@H](C)C(=O)[C@@]12C
InChIInChI=1S/C24H30O7/c1-11-10-24(30)21(5)9-8-13(25)20(3,4)15(21)14(26)18(28)23(24,7)16-19(29)31-12(2)17(27)22(11,16)6/h12,16,26,30H,1,8-10H2,2-7H3/t12-,16-,21+,22+,23-,24+/m1/s1
InChIKeyBSUMMOUMVQVPGZ-VSFXBCNKSA-N
XLogP2.61
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R,4aR,4bS,10aS,10bS,12aR)-6,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-4a,9,10,11-tetrahydronaphtho[1,2-h]isochromene-1,4,5,8-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4aR,4bS,10aS,10bS,12aR)-6,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-4a,9,10,11-tetrahydronaphtho[1,2-h]isochromene-1,4,5,8-tetrone?
The IUPAC name of (2R,4aR,4bS,10aS,10bS,12aR)-6,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-4a,9,10,11-tetrahydronaphtho[1,2-h]isochromene-1,4,5,8-tetrone (CID 11647652) is (2R,4aR,4bS,10aS,10bS,12aR)-6,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-4a,9,10,11-tetrahydronaphtho[1,2-h]isochromene-1,4,5,8-tetrone.
What is the SMILES notation for (2R,4aR,4bS,10aS,10bS,12aR)-6,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-4a,9,10,11-tetrahydronaphtho[1,2-h]isochromene-1,4,5,8-tetrone?
The canonical SMILES for (2R,4aR,4bS,10aS,10bS,12aR)-6,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-4a,9,10,11-tetrahydronaphtho[1,2-h]isochromene-1,4,5,8-tetrone is C=C1C[C@]2(O)[C@@]3(C)CCC(=O)C(C)(C)C3=C(O)C(=O)[C@@]2(C)[C@@H]2C(=O)O[C@H](C)C(=O)[C@@]12C.
What is the InChIKey of (2R,4aR,4bS,10aS,10bS,12aR)-6,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-4a,9,10,11-tetrahydronaphtho[1,2-h]isochromene-1,4,5,8-tetrone?
The InChIKey is BSUMMOUMVQVPGZ-VSFXBCNKSA-N. The full InChI is InChI=1S/C24H30O7/c1-11-10-24(30)21(5)9-8-13(25)20(3,4)15(21)14(26)18(28)23(24,7)16-19(29)31-12(2)17(27)22(11,16)6/h12,16,26,30H,1,8-10H2,2-7H3/t12-,16-,21+,22+,23-,24+/m1/s1.
What are the key properties of (2R,4aR,4bS,10aS,10bS,12aR)-6,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-4a,9,10,11-tetrahydronaphtho[1,2-h]isochromene-1,4,5,8-tetrone?
(2R,4aR,4bS,10aS,10bS,12aR)-6,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-4a,9,10,11-tetrahydronaphtho[1,2-h]isochromene-1,4,5,8-tetrone has a molecular weight of 430.50 g/mol, XLogP of 2.61, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,4bS,10aS,10bS,12aR)-6,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-4a,9,10,11-tetrahydronaphtho[1,2-h]isochromene-1,4,5,8-tetrone is sourced from PubChem (CID 11647652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).