(1S,3'S,14R,15S,16S,17R)-15-hydroxy-2',2',3',10,14,16-hexamethylspiro[18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icosa-2,5,11-triene-17,5'-oxolane]-4,7,13-trione

C28H34O6 — CID 129015866

IUPAC(1S,3'S,14R,15S,16S,17R)-15-hydroxy-2',2',3',10,14,16-hexamethylspiro[18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icosa-2,5,11-triene-17,5'-oxolane]-4,7,13-trione
SMILESC[C@@H]1[C@@]2(C[C@H](C)C(C)(C)O2)O[C@]23CC[C@@]1(O)[C@@]2(C)C(=O)C=C1C3=CC(=O)C2=CC(=O)CCC21C
InChIInChI=1S/C28H34O6/c1-15-14-28(33-23(15,3)4)16(2)26(32)9-10-27(34-28)19-12-21(30)20-11-17(29)7-8-24(20,5)18(19)13-22(31)25(26,27)6/h11-13,15-16,32H,7-10,14H2,1-6H3/t15-,16-,24?,25+,26-,27-,28+/m0/s1
InChIKeyGDRISWWBSHWNKN-OSEYHVPNSA-N
MW466.57 g/mol
LogP3.77
Rot. Bonds

About (1S,3'S,14R,15S,16S,17R)-15-hydroxy-2',2',3',10,14,16-hexamethylspiro[18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icosa-2,5,11-triene-17,5'-oxolane]-4,7,13-trione

(1S,3'S,14R,15S,16S,17R)-15-hydroxy-2',2',3',10,14,16-hexamethylspiro[18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icosa-2,5,11-triene-17,5'-oxolane]-4,7,13-trione (PubChem CID 129015866) has the molecular formula C28H34O6 and a molecular weight of 466.57 g/mol. Its IUPAC name is (1S,3'S,14R,15S,16S,17R)-15-hydroxy-2',2',3',10,14,16-hexamethylspiro[18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icosa-2,5,11-triene-17,5'-oxolane]-4,7,13-trione.

Molecular Properties

Compound Name(1S,3'S,14R,15S,16S,17R)-15-hydroxy-2',2',3',10,14,16-hexamethylspiro[18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icosa-2,5,11-triene-17,5'-oxolane]-4,7,13-trione
PubChem CID129015866
Molecular FormulaC28H34O6
Molecular Weight466.57 g/mol
Exact Mass466.24
IUPAC Name(1S,3'S,14R,15S,16S,17R)-15-hydroxy-2',2',3',10,14,16-hexamethylspiro[18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icosa-2,5,11-triene-17,5'-oxolane]-4,7,13-trione
SMILESC[C@@H]1[C@@]2(C[C@H](C)C(C)(C)O2)O[C@]23CC[C@@]1(O)[C@@]2(C)C(=O)C=C1C3=CC(=O)C2=CC(=O)CCC21C
InChIInChI=1S/C28H34O6/c1-15-14-28(33-23(15,3)4)16(2)26(32)9-10-27(34-28)19-12-21(30)20-11-17(29)7-8-24(20,5)18(19)13-22(31)25(26,27)6/h11-13,15-16,32H,7-10,14H2,1-6H3/t15-,16-,24?,25+,26-,27-,28+/m0/s1
InChIKeyGDRISWWBSHWNKN-OSEYHVPNSA-N
XLogP3.77
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.57
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S,3'S,14R,15S,16S,17R)-15-hydroxy-2',2',3',10,14,16-hexamethylspiro[18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icosa-2,5,11-triene-17,5'-oxolane]-4,7,13-trione with MolForge

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Related Compounds

(1S,3'R,4'S,14R,15R,16S,17S)-3'-hydroxy-4',5',5',10,14,15,16-heptamethylspiro[18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icosa-2,5,11-triene-17,2'-oxolane]-4,7,13-trione
CID 122575665
3',13-dihydroxy-4',5',5',10,14,16-hexamethylspiro[18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icosa-2,5,11-triene-17,2'-oxolane]-4,7-dione
CID 76525141
(1R,3'R,4'S,10R,13R,14S,15S,16S,17R)-3',13-dihydroxy-4',5',5',10,14,16-hexamethylspiro[18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icosa-2,5,11-triene-17,2'-oxolane]-4,7-dione
CID 57406239
2-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-one
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(1R)-7a-hydroxy-1-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
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(6b,10a-dihydroxy-10,11b-dimethyl-3-oxo-2,5,6,6a,7,8,9,10,11,11a-decahydro-1H-benzo[a]fluoren-7-yl) (E)-3,4-dimethylpent-2-enoate
CID 130217320
7a-methyl-6,7-dihydro-3H-2-benzofuran-1,5-dione
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4,4-difluoro-3-methylcyclohex-2-en-1-one
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1a-hydroxy-1,1b-dimethyl-2,3,6,6a-tetrahydro-1H-cyclopropa[a]inden-4-one
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Frequently Asked Questions

What is the IUPAC name of (1S,3'S,14R,15S,16S,17R)-15-hydroxy-2',2',3',10,14,16-hexamethylspiro[18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icosa-2,5,11-triene-17,5'-oxolane]-4,7,13-trione?
The IUPAC name of (1S,3'S,14R,15S,16S,17R)-15-hydroxy-2',2',3',10,14,16-hexamethylspiro[18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icosa-2,5,11-triene-17,5'-oxolane]-4,7,13-trione (CID 129015866) is (1S,3'S,14R,15S,16S,17R)-15-hydroxy-2',2',3',10,14,16-hexamethylspiro[18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icosa-2,5,11-triene-17,5'-oxolane]-4,7,13-trione.
What is the SMILES notation for (1S,3'S,14R,15S,16S,17R)-15-hydroxy-2',2',3',10,14,16-hexamethylspiro[18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icosa-2,5,11-triene-17,5'-oxolane]-4,7,13-trione?
The canonical SMILES for (1S,3'S,14R,15S,16S,17R)-15-hydroxy-2',2',3',10,14,16-hexamethylspiro[18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icosa-2,5,11-triene-17,5'-oxolane]-4,7,13-trione is C[C@@H]1[C@@]2(C[C@H](C)C(C)(C)O2)O[C@]23CC[C@@]1(O)[C@@]2(C)C(=O)C=C1C3=CC(=O)C2=CC(=O)CCC21C.
What is the InChIKey of (1S,3'S,14R,15S,16S,17R)-15-hydroxy-2',2',3',10,14,16-hexamethylspiro[18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icosa-2,5,11-triene-17,5'-oxolane]-4,7,13-trione?
The InChIKey is GDRISWWBSHWNKN-OSEYHVPNSA-N. The full InChI is InChI=1S/C28H34O6/c1-15-14-28(33-23(15,3)4)16(2)26(32)9-10-27(34-28)19-12-21(30)20-11-17(29)7-8-24(20,5)18(19)13-22(31)25(26,27)6/h11-13,15-16,32H,7-10,14H2,1-6H3/t15-,16-,24?,25+,26-,27-,28+/m0/s1.
What are the key properties of (1S,3'S,14R,15S,16S,17R)-15-hydroxy-2',2',3',10,14,16-hexamethylspiro[18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icosa-2,5,11-triene-17,5'-oxolane]-4,7,13-trione?
(1S,3'S,14R,15S,16S,17R)-15-hydroxy-2',2',3',10,14,16-hexamethylspiro[18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icosa-2,5,11-triene-17,5'-oxolane]-4,7,13-trione has a molecular weight of 466.57 g/mol, XLogP of 3.77, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3'S,14R,15S,16S,17R)-15-hydroxy-2',2',3',10,14,16-hexamethylspiro[18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icosa-2,5,11-triene-17,5'-oxolane]-4,7,13-trione is sourced from PubChem (CID 129015866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).