CS-0538825
1-((8S,13S,14S,17R)-17-hydroxy-13-methyl-1,2,4,6,7,8,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-yl)ethan-1-one
Manufacturer: ChemScene
CAS Number: 42982-49-0
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₂H₃₀O₄
Molecular Weight
358.47
Synonyms
3-(Ethylene-dioxy)-17α-hydroxy-19-norpregna-5(10),9(11)-diene-20-one
SMILES
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=C3CCC5(C4)OCCO5)C)O
Tpsa
55.76
Logp
3.6865
H Acceptors
4
H Donors
1
Rotatable Bonds
1
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 42982-49-0 | 19-Norpregna-5(10),9(11)-diene-3,20-dione, 17-hydroxy-, cyclic 3-(1,2-ethanediyl acetal) | A2B Chem | -- |
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₃₀O₄
Molecular Weight: 358.47
Synonyms: 3-(Ethylene-dioxy)-17α-hydroxy-19-norpregna-5(10),9(11)-diene-20-one
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=C3CCC5(C4)OCCO5)C)O
Tpsa: 55.76
Logp: 3.6865
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₃₀O₄
Molecular Weight:
358.47
Synonyms:
3-(Ethylene-dioxy)-17α-hydroxy-19-norpregna-5(10),9(11)-diene-20-one
SMILES:
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=C3CCC5(C4)OCCO5)C)O
Tpsa:
55.76
Logp:
3.6865
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD28967987
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₄₂O₄
Molecular Weight: 418.61
Synonyms: Obeticholic Acid Intermediate G
SMILES: CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C1=O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O
Tpsa: 74.6
Logp: 5.3222
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
MFCD28967987
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₄₂O₄
Molecular Weight:
418.61
Synonyms:
Obeticholic Acid Intermediate G
SMILES:
CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C1=O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O
Tpsa:
74.6
Logp:
5.3222
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₂₉ClO₈
Molecular Weight: 468.92
Synonyms: Methyl 1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-5-C-(hydroxymethyl)-alpha-D-xylo-hexopyranoside
SMILES: CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@]3([C@@H]([C@H]([C@@H](C(O3)(CO)CO)O)O)O)OC)Cl
Tpsa: 128.84
Logp: 0.965
H Acceptors: 8
H Donors: 5
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₂₉ClO₈
Molecular Weight:
468.92
Synonyms:
Methyl 1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-5-C-(hydroxymethyl)-alpha-D-xylo-hexopyranoside
SMILES:
CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@]3([C@@H]([C@H]([C@@H](C(O3)(CO)CO)O)O)O)OC)Cl
Tpsa:
128.84
Logp:
0.965
H Acceptors:
8
H Donors:
5
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₁₇Br
Molecular Weight: 445.35
Synonyms: 5-bromospiro[benzo[c]-fluorene-7,9'-fluorene]
SMILES: BrC1=CC(C2(C3=C(C4=C2C=CC=C4)C=CC=C3)C5=C6C=CC=C5)=C6C7=CC=CC=C17
Tpsa: 0
Logp: 7.9458
H Acceptors: 0
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₁₇Br
Molecular Weight:
445.35
Synonyms:
5-bromospiro[benzo[c]-fluorene-7,9'-fluorene]
SMILES:
BrC1=CC(C2(C3=C(C4=C2C=CC=C4)C=CC=C3)C5=C6C=CC=C5)=C6C7=CC=CC=C17
Tpsa:
0
Logp:
7.9458
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
0