(13S,14S,18R,19R)-hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(22),2,4,6,8(24),9,11,15(23),16,20-decaene-13,14,18,19-tetrol

C24H18O4 — CID 15418685

IUPAC(13S,14S,18R,19R)-hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(22),2,4,6,8(24),9,11,15(23),16,20-decaene-13,14,18,19-tetrol
SMILESO[C@@H]1C=Cc2c(cc3c4c5c(cccc5c5ccccc5c24)[C@H](O)[C@H]3O)[C@H]1O
InChIInChI=1S/C24H18O4/c25-18-9-8-14-16(22(18)26)10-17-21-19(14)12-5-2-1-4-11(12)13-6-3-7-15(20(13)21)23(27)24(17)28/h1-10,18,22-28H/t18-,22-,23+,24+/m1/s1
InChIKeyHXMUFRFKNWVGSR-LKDDOFHYSA-N
MW370.40 g/mol
LogP3.65
Rot. Bonds

About (13S,14S,18R,19R)-hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(22),2,4,6,8(24),9,11,15(23),16,20-decaene-13,14,18,19-tetrol

(13S,14S,18R,19R)-hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(22),2,4,6,8(24),9,11,15(23),16,20-decaene-13,14,18,19-tetrol (PubChem CID 15418685) has the molecular formula C24H18O4 and a molecular weight of 370.40 g/mol. Its IUPAC name is (13S,14S,18R,19R)-hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(22),2,4,6,8(24),9,11,15(23),16,20-decaene-13,14,18,19-tetrol.

Molecular Properties

Compound Name(13S,14S,18R,19R)-hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(22),2,4,6,8(24),9,11,15(23),16,20-decaene-13,14,18,19-tetrol
PubChem CID15418685
Molecular FormulaC24H18O4
Molecular Weight370.40 g/mol
Exact Mass370.12
IUPAC Name(13S,14S,18R,19R)-hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(22),2,4,6,8(24),9,11,15(23),16,20-decaene-13,14,18,19-tetrol
SMILESO[C@@H]1C=Cc2c(cc3c4c5c(cccc5c5ccccc5c24)[C@H](O)[C@H]3O)[C@H]1O
InChIInChI=1S/C24H18O4/c25-18-9-8-14-16(22(18)26)10-17-21-19(14)12-5-2-1-4-11(12)13-6-3-7-15(20(13)21)23(27)24(17)28/h1-10,18,22-28H/t18-,22-,23+,24+/m1/s1
InChIKeyHXMUFRFKNWVGSR-LKDDOFHYSA-N
XLogP3.65
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze (13S,14S,18R,19R)-hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(22),2,4,6,8(24),9,11,15(23),16,20-decaene-13,14,18,19-tetrol with MolForge

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Related Compounds

(6S,7S,22R,23R)-hexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5(10),8,12,14,16,19(24),20,25-undecaene-6,7,22,23-tetrol
CID 10500935
(1R,2S)-1,2-dihydronaphthalene-1,2,5-triol
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(7R,8R,18S,19S)-pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4(9),5,10,12,15,17(22),20-nonaene-7,8,18,19-tetrol
CID 10712585
3,4-dihydronaphtho[1,2-b][1]benzothiole-3,4-diol
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(10S,11S)-10,11-dihydrobenzo[a]anthracene-10,11-diol
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15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetrol
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(1R,3R)-2-methyl-2,3-dihydro-1H-indene-1,3-diol
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Frequently Asked Questions

What is the IUPAC name of (13S,14S,18R,19R)-hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(22),2,4,6,8(24),9,11,15(23),16,20-decaene-13,14,18,19-tetrol?
The IUPAC name of (13S,14S,18R,19R)-hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(22),2,4,6,8(24),9,11,15(23),16,20-decaene-13,14,18,19-tetrol (CID 15418685) is (13S,14S,18R,19R)-hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(22),2,4,6,8(24),9,11,15(23),16,20-decaene-13,14,18,19-tetrol.
What is the SMILES notation for (13S,14S,18R,19R)-hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(22),2,4,6,8(24),9,11,15(23),16,20-decaene-13,14,18,19-tetrol?
The canonical SMILES for (13S,14S,18R,19R)-hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(22),2,4,6,8(24),9,11,15(23),16,20-decaene-13,14,18,19-tetrol is O[C@@H]1C=Cc2c(cc3c4c5c(cccc5c5ccccc5c24)[C@H](O)[C@H]3O)[C@H]1O.
What is the InChIKey of (13S,14S,18R,19R)-hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(22),2,4,6,8(24),9,11,15(23),16,20-decaene-13,14,18,19-tetrol?
The InChIKey is HXMUFRFKNWVGSR-LKDDOFHYSA-N. The full InChI is InChI=1S/C24H18O4/c25-18-9-8-14-16(22(18)26)10-17-21-19(14)12-5-2-1-4-11(12)13-6-3-7-15(20(13)21)23(27)24(17)28/h1-10,18,22-28H/t18-,22-,23+,24+/m1/s1.
What are the key properties of (13S,14S,18R,19R)-hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(22),2,4,6,8(24),9,11,15(23),16,20-decaene-13,14,18,19-tetrol?
(13S,14S,18R,19R)-hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(22),2,4,6,8(24),9,11,15(23),16,20-decaene-13,14,18,19-tetrol has a molecular weight of 370.40 g/mol, XLogP of 3.65, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (13S,14S,18R,19R)-hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(22),2,4,6,8(24),9,11,15(23),16,20-decaene-13,14,18,19-tetrol is sourced from PubChem (CID 15418685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).