(8'S,13'S,14'S)-3'-methoxyspiro[1,3-dioxolane-2,17'-6,7,8,12,13,14,15,16-octahydrocyclopenta[a]phenanthrene]

C20H24O3 — CID 22797978

IUPAC(8'S,13'S,14'S)-3'-methoxyspiro[1,3-dioxolane-2,17'-6,7,8,12,13,14,15,16-octahydrocyclopenta[a]phenanthrene]
SMILESCOc1ccc2c(c1)CC[C@@H]1C2=CC[C@H]2[C@H]1CCC21OCCO1
InChIInChI=1S/C20H24O3/c1-21-14-3-5-15-13(12-14)2-4-17-16(15)6-7-19-18(17)8-9-20(19)22-10-11-23-20/h3,5-6,12,17-19H,2,4,7-11H2,1H3/t17-,18+,19+/m1/s1
InChIKeyMXDKGLZLDNKIKP-QYZOEREBSA-N
MW312.41 g/mol
LogP3.81
Rot. Bonds1

About (8'S,13'S,14'S)-3'-methoxyspiro[1,3-dioxolane-2,17'-6,7,8,12,13,14,15,16-octahydrocyclopenta[a]phenanthrene]

(8'S,13'S,14'S)-3'-methoxyspiro[1,3-dioxolane-2,17'-6,7,8,12,13,14,15,16-octahydrocyclopenta[a]phenanthrene] (PubChem CID 22797978) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is (8'S,13'S,14'S)-3'-methoxyspiro[1,3-dioxolane-2,17'-6,7,8,12,13,14,15,16-octahydrocyclopenta[a]phenanthrene].

Molecular Properties

Compound Name(8'S,13'S,14'S)-3'-methoxyspiro[1,3-dioxolane-2,17'-6,7,8,12,13,14,15,16-octahydrocyclopenta[a]phenanthrene]
PubChem CID22797978
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name(8'S,13'S,14'S)-3'-methoxyspiro[1,3-dioxolane-2,17'-6,7,8,12,13,14,15,16-octahydrocyclopenta[a]phenanthrene]
SMILESCOc1ccc2c(c1)CC[C@@H]1C2=CC[C@H]2[C@H]1CCC21OCCO1
InChIInChI=1S/C20H24O3/c1-21-14-3-5-15-13(12-14)2-4-17-16(15)6-7-19-18(17)8-9-20(19)22-10-11-23-20/h3,5-6,12,17-19H,2,4,7-11H2,1H3/t17-,18+,19+/m1/s1
InChIKeyMXDKGLZLDNKIKP-QYZOEREBSA-N
XLogP3.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (8'S,13'S,14'S)-3'-methoxyspiro[1,3-dioxolane-2,17'-6,7,8,12,13,14,15,16-octahydrocyclopenta[a]phenanthrene] with MolForge

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Related Compounds

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CID 134879809
(3aS,3bR,11aR)-7-methoxy-2-phenyl-3a,3b,4,5,11,11a-hexahydronaphtho[2,1-e]isoindole-1,3-dione
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(3aS,3bR)-7-methoxy-3,3a,3b,4,5,11-hexahydro-2H-naphtho[1,2-g]indolizin-1-one
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(8R,9S,13S,14S,17R)-3-methoxy-13-methylspiro[7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17,2'-oxetane]
CID 72793484
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ethyl (1S,2S,10aR)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methoxy-1,2,3,9,10,10a-hexahydrophenanthrene-1-carboxylate
CID 155932238
tert-butyl-[[(8R,9S,13S,14S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]oxy]-dimethylsilane
CID 15713351
methyl (13S,14S)-3-methoxy-17-oxo-7,8,12,13-tetrahydro-6H-cyclopenta[a]phenanthrene-14-carboxylate
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N-[dimethylamino-[[(8R,9S,13S,14S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]oxy]phosphoryl]-N-methylmethanamine
CID 15858978
(8S,9S,13S,14S,17S)-17-ethynyl-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
CID 22797581
4-[(8S,9S,13S,14S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]but-3-yn-1-ol
CID 102049488

Frequently Asked Questions

What is the IUPAC name of (8'S,13'S,14'S)-3'-methoxyspiro[1,3-dioxolane-2,17'-6,7,8,12,13,14,15,16-octahydrocyclopenta[a]phenanthrene]?
The IUPAC name of (8'S,13'S,14'S)-3'-methoxyspiro[1,3-dioxolane-2,17'-6,7,8,12,13,14,15,16-octahydrocyclopenta[a]phenanthrene] (CID 22797978) is (8'S,13'S,14'S)-3'-methoxyspiro[1,3-dioxolane-2,17'-6,7,8,12,13,14,15,16-octahydrocyclopenta[a]phenanthrene].
What is the SMILES notation for (8'S,13'S,14'S)-3'-methoxyspiro[1,3-dioxolane-2,17'-6,7,8,12,13,14,15,16-octahydrocyclopenta[a]phenanthrene]?
The canonical SMILES for (8'S,13'S,14'S)-3'-methoxyspiro[1,3-dioxolane-2,17'-6,7,8,12,13,14,15,16-octahydrocyclopenta[a]phenanthrene] is COc1ccc2c(c1)CC[C@@H]1C2=CC[C@H]2[C@H]1CCC21OCCO1.
What is the InChIKey of (8'S,13'S,14'S)-3'-methoxyspiro[1,3-dioxolane-2,17'-6,7,8,12,13,14,15,16-octahydrocyclopenta[a]phenanthrene]?
The InChIKey is MXDKGLZLDNKIKP-QYZOEREBSA-N. The full InChI is InChI=1S/C20H24O3/c1-21-14-3-5-15-13(12-14)2-4-17-16(15)6-7-19-18(17)8-9-20(19)22-10-11-23-20/h3,5-6,12,17-19H,2,4,7-11H2,1H3/t17-,18+,19+/m1/s1.
What are the key properties of (8'S,13'S,14'S)-3'-methoxyspiro[1,3-dioxolane-2,17'-6,7,8,12,13,14,15,16-octahydrocyclopenta[a]phenanthrene]?
(8'S,13'S,14'S)-3'-methoxyspiro[1,3-dioxolane-2,17'-6,7,8,12,13,14,15,16-octahydrocyclopenta[a]phenanthrene] has a molecular weight of 312.41 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8'S,13'S,14'S)-3'-methoxyspiro[1,3-dioxolane-2,17'-6,7,8,12,13,14,15,16-octahydrocyclopenta[a]phenanthrene] is sourced from PubChem (CID 22797978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).