(10R,11S,14S)-6-methoxy-10,11,14-trimethyl-15-methylidene-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione

C22H28O4 — CID 163010093

IUPAC(10R,11S,14S)-6-methoxy-10,11,14-trimethyl-15-methylidene-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione
SMILESC=C1CCCC23OC4=C(C[C@]2(C)[C@@H](C)CC[C@@]13C)C(=O)C(OC)=CC4=O
InChIInChI=1S/C22H28O4/c1-13-7-6-9-22-20(13,3)10-8-14(2)21(22,4)12-15-18(24)17(25-5)11-16(23)19(15)26-22/h11,14H,1,6-10,12H2,2-5H3/t14-,20-,21+,22?/m0/s1
InChIKeyVHEIQBFDIYFDPD-DZIOEWOZSA-N
MW356.46 g/mol
LogP4.26
Rot. Bonds1

About (10R,11S,14S)-6-methoxy-10,11,14-trimethyl-15-methylidene-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione

(10R,11S,14S)-6-methoxy-10,11,14-trimethyl-15-methylidene-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione (PubChem CID 163010093) has the molecular formula C22H28O4 and a molecular weight of 356.46 g/mol. Its IUPAC name is (10R,11S,14S)-6-methoxy-10,11,14-trimethyl-15-methylidene-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione.

Molecular Properties

Compound Name(10R,11S,14S)-6-methoxy-10,11,14-trimethyl-15-methylidene-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione
PubChem CID163010093
Molecular FormulaC22H28O4
Molecular Weight356.46 g/mol
Exact Mass356.20
IUPAC Name(10R,11S,14S)-6-methoxy-10,11,14-trimethyl-15-methylidene-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione
SMILESC=C1CCCC23OC4=C(C[C@]2(C)[C@@H](C)CC[C@@]13C)C(=O)C(OC)=CC4=O
InChIInChI=1S/C22H28O4/c1-13-7-6-9-22-20(13,3)10-8-14(2)21(22,4)12-15-18(24)17(25-5)11-16(23)19(15)26-22/h11,14H,1,6-10,12H2,2-5H3/t14-,20-,21+,22?/m0/s1
InChIKeyVHEIQBFDIYFDPD-DZIOEWOZSA-N
XLogP4.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (10R,11S,14S)-6-methoxy-10,11,14-trimethyl-15-methylidene-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione with MolForge

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Related Compounds

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CID 637868
methyl 2-[(1R,6R,9S,10R,15R)-15-methoxy-6,9,10-trimethyl-5-methylidene-13-oxo-14,17-dioxatetracyclo[8.7.0.01,6.012,16]heptadec-12(16)-en-15-yl]acetate
CID 11014966
(4aR,8R,8aR)-5'-methoxy-4,4,7,8a-tetramethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-4',7'-dione
CID 24905925
(7aS)-3,3a,7a-trimethyl-7-methylidene-1,2,3,4,5,6-hexahydroindene
CID 142040575
2-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-6-methoxycyclohexa-2,5-diene-1,4-dione
CID 10831179
(4bS,8R,8aR)-8-(hydroxymethyl)-2-methoxy-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-1,4-dione
CID 11012158
2-[(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl]-3-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione
CID 74052033
(1S)-6-methoxy-1-methyl-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2(11),3,6,9,13(20),15-hexaene-5,8,12-trione
CID 11791995
7,9,10-trihydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione
CID 14782372
methyl (1S,4aS,10aR)-6-methoxy-1,4a-dimethyl-5,8-dioxo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
CID 14658271
3-[(2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-ylidene)methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione
CID 74051278
(6R)-3,6-dimethyl-6-[(1S)-1-methyl-2-methylidenecyclopentyl]cyclohexen-1-ol
CID 10727671

Frequently Asked Questions

What is the IUPAC name of (10R,11S,14S)-6-methoxy-10,11,14-trimethyl-15-methylidene-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione?
The IUPAC name of (10R,11S,14S)-6-methoxy-10,11,14-trimethyl-15-methylidene-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione (CID 163010093) is (10R,11S,14S)-6-methoxy-10,11,14-trimethyl-15-methylidene-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione.
What is the SMILES notation for (10R,11S,14S)-6-methoxy-10,11,14-trimethyl-15-methylidene-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione?
The canonical SMILES for (10R,11S,14S)-6-methoxy-10,11,14-trimethyl-15-methylidene-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione is C=C1CCCC23OC4=C(C[C@]2(C)[C@@H](C)CC[C@@]13C)C(=O)C(OC)=CC4=O.
What is the InChIKey of (10R,11S,14S)-6-methoxy-10,11,14-trimethyl-15-methylidene-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione?
The InChIKey is VHEIQBFDIYFDPD-DZIOEWOZSA-N. The full InChI is InChI=1S/C22H28O4/c1-13-7-6-9-22-20(13,3)10-8-14(2)21(22,4)12-15-18(24)17(25-5)11-16(23)19(15)26-22/h11,14H,1,6-10,12H2,2-5H3/t14-,20-,21+,22?/m0/s1.
What are the key properties of (10R,11S,14S)-6-methoxy-10,11,14-trimethyl-15-methylidene-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione?
(10R,11S,14S)-6-methoxy-10,11,14-trimethyl-15-methylidene-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione has a molecular weight of 356.46 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,11S,14S)-6-methoxy-10,11,14-trimethyl-15-methylidene-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione is sourced from PubChem (CID 163010093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).