(14R,15S)-8-methoxytetracyclo[12.3.1.02,11.05,10]octadeca-5,7,9-triene-7,15-diol

C19H26O3 — CID 163624357

IUPAC(14R,15S)-8-methoxytetracyclo[12.3.1.02,11.05,10]octadeca-5,7,9-triene-7,15-diol
SMILESCOc1cc2c(cc1O)CCC1C3CC[C@H](O)[C@H](CCC21)C3
InChIInChI=1S/C19H26O3/c1-22-19-10-16-12(9-18(19)21)2-5-14-11-4-7-17(20)13(8-11)3-6-15(14)16/h9-11,13-15,17,20-21H,2-8H2,1H3/t11?,13-,14?,15?,17+/m1/s1
InChIKeyHQVMNINLFLDJFN-MQMQYENRSA-N
MW302.41 g/mol
LogP3.62
Rot. Bonds1

About (14R,15S)-8-methoxytetracyclo[12.3.1.02,11.05,10]octadeca-5,7,9-triene-7,15-diol

(14R,15S)-8-methoxytetracyclo[12.3.1.02,11.05,10]octadeca-5,7,9-triene-7,15-diol (PubChem CID 163624357) has the molecular formula C19H26O3 and a molecular weight of 302.41 g/mol. Its IUPAC name is (14R,15S)-8-methoxytetracyclo[12.3.1.02,11.05,10]octadeca-5,7,9-triene-7,15-diol.

Molecular Properties

Compound Name(14R,15S)-8-methoxytetracyclo[12.3.1.02,11.05,10]octadeca-5,7,9-triene-7,15-diol
PubChem CID163624357
Molecular FormulaC19H26O3
Molecular Weight302.41 g/mol
Exact Mass302.19
IUPAC Name(14R,15S)-8-methoxytetracyclo[12.3.1.02,11.05,10]octadeca-5,7,9-triene-7,15-diol
SMILESCOc1cc2c(cc1O)CCC1C3CC[C@H](O)[C@H](CCC21)C3
InChIInChI=1S/C19H26O3/c1-22-19-10-16-12(9-18(19)21)2-5-14-11-4-7-17(20)13(8-11)3-6-15(14)16/h9-11,13-15,17,20-21H,2-8H2,1H3/t11?,13-,14?,15?,17+/m1/s1
InChIKeyHQVMNINLFLDJFN-MQMQYENRSA-N
XLogP3.62
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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8-butyl-3-methoxy-7-methyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol
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(1R)-1-amino-6-methoxy-2,3-dihydro-1H-inden-5-ol
CID 130688462
(13S,17S)-13-ethyl-2-methoxy-6,7,8,9,11,12,14,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
CID 24761046
(7S)-13-methoxypentacyclo[8.8.0.02,7.05,7.011,16]octadeca-5,11,13,15-tetraen-14-ol
CID 142142938
(8R,9S,14S)-3-hydroxy-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 138394878
CID 169423931
CID 169423931
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CID 58791089
(8R,9S,13S,14S)-3-hydroxy-2-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-16-carbonitrile
CID 67235265
acetic acid;ethane;3-hydroxy-2-methoxy-13,16-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 142945037
[(8R,9S,13S,14S,17S)-3-hydroxy-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate
CID 101243150
2-[(8R,9S,13S,14S,17R)-3,17-dihydroxy-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetonitrile
CID 163011107

Frequently Asked Questions

What is the IUPAC name of (14R,15S)-8-methoxytetracyclo[12.3.1.02,11.05,10]octadeca-5,7,9-triene-7,15-diol?
The IUPAC name of (14R,15S)-8-methoxytetracyclo[12.3.1.02,11.05,10]octadeca-5,7,9-triene-7,15-diol (CID 163624357) is (14R,15S)-8-methoxytetracyclo[12.3.1.02,11.05,10]octadeca-5,7,9-triene-7,15-diol.
What is the SMILES notation for (14R,15S)-8-methoxytetracyclo[12.3.1.02,11.05,10]octadeca-5,7,9-triene-7,15-diol?
The canonical SMILES for (14R,15S)-8-methoxytetracyclo[12.3.1.02,11.05,10]octadeca-5,7,9-triene-7,15-diol is COc1cc2c(cc1O)CCC1C3CC[C@H](O)[C@H](CCC21)C3.
What is the InChIKey of (14R,15S)-8-methoxytetracyclo[12.3.1.02,11.05,10]octadeca-5,7,9-triene-7,15-diol?
The InChIKey is HQVMNINLFLDJFN-MQMQYENRSA-N. The full InChI is InChI=1S/C19H26O3/c1-22-19-10-16-12(9-18(19)21)2-5-14-11-4-7-17(20)13(8-11)3-6-15(14)16/h9-11,13-15,17,20-21H,2-8H2,1H3/t11?,13-,14?,15?,17+/m1/s1.
What are the key properties of (14R,15S)-8-methoxytetracyclo[12.3.1.02,11.05,10]octadeca-5,7,9-triene-7,15-diol?
(14R,15S)-8-methoxytetracyclo[12.3.1.02,11.05,10]octadeca-5,7,9-triene-7,15-diol has a molecular weight of 302.41 g/mol, XLogP of 3.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (14R,15S)-8-methoxytetracyclo[12.3.1.02,11.05,10]octadeca-5,7,9-triene-7,15-diol is sourced from PubChem (CID 163624357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).