(3aR,6R,7E,10S,11R,14E,15aS)-6,10,14-trimethyl-3-methylidene-5,9,11,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-3a,6,10,11-tetrol

C20H32O5 — CID 72945528

IUPAC(3aR,6R,7E,10S,11R,14E,15aS)-6,10,14-trimethyl-3-methylidene-5,9,11,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-3a,6,10,11-tetrol
SMILESC=C1CO[C@H]2/C=C(\C)CC[C@@H](O)[C@@](C)(O)C/C=C/[C@](C)(O)CC[C@@]12O
InChIInChI=1S/C20H32O5/c1-14-6-7-16(21)19(4,23)9-5-8-18(3,22)10-11-20(24)15(2)13-25-17(20)12-14/h5,8,12,16-17,21-24H,2,6-7,9-11,13H2,1,3-4H3/b8-5+,14-12+/t16-,17+,18+,19+,20-/m1/s1
InChIKeyQWQCCBLIKLMUJQ-AIZJHLRRSA-N
MW352.47 g/mol
LogP2.00
Rot. Bonds

About (3aR,6R,7E,10S,11R,14E,15aS)-6,10,14-trimethyl-3-methylidene-5,9,11,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-3a,6,10,11-tetrol

(3aR,6R,7E,10S,11R,14E,15aS)-6,10,14-trimethyl-3-methylidene-5,9,11,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-3a,6,10,11-tetrol (PubChem CID 72945528) has the molecular formula C20H32O5 and a molecular weight of 352.47 g/mol. Its IUPAC name is (3aR,6R,7E,10S,11R,14E,15aS)-6,10,14-trimethyl-3-methylidene-5,9,11,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-3a,6,10,11-tetrol.

Molecular Properties

Compound Name(3aR,6R,7E,10S,11R,14E,15aS)-6,10,14-trimethyl-3-methylidene-5,9,11,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-3a,6,10,11-tetrol
PubChem CID72945528
Molecular FormulaC20H32O5
Molecular Weight352.47 g/mol
Exact Mass352.22
IUPAC Name(3aR,6R,7E,10S,11R,14E,15aS)-6,10,14-trimethyl-3-methylidene-5,9,11,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-3a,6,10,11-tetrol
SMILESC=C1CO[C@H]2/C=C(\C)CC[C@@H](O)[C@@](C)(O)C/C=C/[C@](C)(O)CC[C@@]12O
InChIInChI=1S/C20H32O5/c1-14-6-7-16(21)19(4,23)9-5-8-18(3,22)10-11-20(24)15(2)13-25-17(20)12-14/h5,8,12,16-17,21-24H,2,6-7,9-11,13H2,1,3-4H3/b8-5+,14-12+/t16-,17+,18+,19+,20-/m1/s1
InChIKeyQWQCCBLIKLMUJQ-AIZJHLRRSA-N
XLogP2.00
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3aR,6R,7E,10S,11R,14E,15aS)-6,10,14-trimethyl-3-methylidene-5,9,11,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-3a,6,10,11-tetrol with MolForge

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Related Compounds

(3aS,6R,10R,11S,15aR)-6,10,14-trimethyl-3-methylidene-5,9,11,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-3a,6,10,11-tetrol
CID 162976911
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(1R,2R,5E,7E,11E)-2,8,12-trimethyl-5-prop-1-en-2-ylcyclotetradeca-5,7,11-triene-1,2-diol
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(1S,4R,4aS,8aR)-1,6-dimethyl-4-prop-1-en-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
CID 163063171
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CID 162889096
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CID 71467237
(1S,4R,4aR)-1,4,6-trimethyl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
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Frequently Asked Questions

What is the IUPAC name of (3aR,6R,7E,10S,11R,14E,15aS)-6,10,14-trimethyl-3-methylidene-5,9,11,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-3a,6,10,11-tetrol?
The IUPAC name of (3aR,6R,7E,10S,11R,14E,15aS)-6,10,14-trimethyl-3-methylidene-5,9,11,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-3a,6,10,11-tetrol (CID 72945528) is (3aR,6R,7E,10S,11R,14E,15aS)-6,10,14-trimethyl-3-methylidene-5,9,11,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-3a,6,10,11-tetrol.
What is the SMILES notation for (3aR,6R,7E,10S,11R,14E,15aS)-6,10,14-trimethyl-3-methylidene-5,9,11,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-3a,6,10,11-tetrol?
The canonical SMILES for (3aR,6R,7E,10S,11R,14E,15aS)-6,10,14-trimethyl-3-methylidene-5,9,11,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-3a,6,10,11-tetrol is C=C1CO[C@H]2/C=C(\C)CC[C@@H](O)[C@@](C)(O)C/C=C/[C@](C)(O)CC[C@@]12O.
What is the InChIKey of (3aR,6R,7E,10S,11R,14E,15aS)-6,10,14-trimethyl-3-methylidene-5,9,11,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-3a,6,10,11-tetrol?
The InChIKey is QWQCCBLIKLMUJQ-AIZJHLRRSA-N. The full InChI is InChI=1S/C20H32O5/c1-14-6-7-16(21)19(4,23)9-5-8-18(3,22)10-11-20(24)15(2)13-25-17(20)12-14/h5,8,12,16-17,21-24H,2,6-7,9-11,13H2,1,3-4H3/b8-5+,14-12+/t16-,17+,18+,19+,20-/m1/s1.
What are the key properties of (3aR,6R,7E,10S,11R,14E,15aS)-6,10,14-trimethyl-3-methylidene-5,9,11,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-3a,6,10,11-tetrol?
(3aR,6R,7E,10S,11R,14E,15aS)-6,10,14-trimethyl-3-methylidene-5,9,11,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-3a,6,10,11-tetrol has a molecular weight of 352.47 g/mol, XLogP of 2.00, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R,7E,10S,11R,14E,15aS)-6,10,14-trimethyl-3-methylidene-5,9,11,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-3a,6,10,11-tetrol is sourced from PubChem (CID 72945528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).