CS-1172984
(1R,3S,Z)-5-(2-((1R,3aS,7aR,E)-1-((2R,5S,E)-5-Cyclopropyl-5-isopropoxypent-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol (Calcitriol impurity)
Manufacturer: ChemScene
CAS Number: None
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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
C₃₀H₄₆O₃
Molecular Weight
454.68
Synonyms
None
SMILES
C[C@@]12[C@](CC[C@@H]2[C@@H](/C=C/[C@@H](OC(C)C)C3CC3)C)([H])/C(CCC1)=C/C=C4C[C@@H](O)C[C@H](O)C/4=C
Tpsa
49.69
Logp
6.5233
H Acceptors
3
H Donors
2
Rotatable Bonds
7
Other Options
...
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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: C₃₀H₄₆O₃
Molecular Weight: 454.68
Synonyms: None
SMILES: C[C@@]12[C@](CC[C@@H]2[C@@H](/C=C/[C@@H](OC(C)C)C3CC3)C)([H])/C(CCC1)=C/C=C4C[C@@H](O)C[C@H](O)C/4=C
Tpsa: 49.69
Logp: 6.5233
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₄₆O₃
Molecular Weight:
454.68
Synonyms:
None
SMILES:
C[C@@]12[C@](CC[C@@H]2[C@@H](/C=C/[C@@H](OC(C)C)C3CC3)C)([H])/C(CCC1)=C/C=C4C[C@@H](O)C[C@H](O)C/4=C
Tpsa:
49.69
Logp:
6.5233
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₄H₁₀₆O₅Si₄
Molecular Weight: 947.76
Synonyms: None
SMILES: C[C@]1(CCC/2)[C@](CC[C@@H]1[C@@H](CCCC(C)(C)O[Si](CC)(CC)CC)C)([H])C2=C/C=C3C([C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OCCCO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C\3)=C
Tpsa: 46.15
Logp: 17.2002
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 21
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₄H₁₀₆O₅Si₄
Molecular Weight:
947.76
Synonyms:
None
SMILES:
C[C@]1(CCC/2)[C@](CC[C@@H]1[C@@H](CCCC(C)(C)O[Si](CC)(CC)CC)C)([H])C2=C/C=C3C([C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OCCCO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C\3)=C
Tpsa:
46.15
Logp:
17.2002
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
21
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₅H₈₆O₃Si₃
Molecular Weight: 759.42
Synonyms: None
SMILES: C=C1[C@H](O[Si](C)(C(C)(C)C)C)C[C@@H](O[Si](C)(C(C)(C)C)C)C/C1=C/C=C2[C@]3([H])CC[C@H]([C@@H](CCCC(C)(O[Si](C)(C(C)(C)C)C)C)C)[C@@]3(C)CCC/2
Tpsa: 27.69
Logp: 14.7932
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₅H₈₆O₃Si₃
Molecular Weight:
759.42
Synonyms:
None
SMILES:
C=C1[C@H](O[Si](C)(C(C)(C)C)C)C[C@@H](O[Si](C)(C(C)(C)C)C)C/C1=C/C=C2[C@]3([H])CC[C@H]([C@@H](CCCC(C)(O[Si](C)(C(C)(C)C)C)C)C)[C@@]3(C)CCC/2
Tpsa:
27.69
Logp:
14.7932
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₃₄O₃
Molecular Weight: 382.54
Synonyms: None
SMILES: C[C@@]12[C@](CC[C@@H]2[C@@H](/C=C/[C@@H](C3CC3)O)C)([H])[C@@H](OC(C4=CC=CC=C4)=O)CCC1
Tpsa: 46.53
Logp: 5.3916
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₃₄O₃
Molecular Weight:
382.54
Synonyms:
None
SMILES:
C[C@@]12[C@](CC[C@@H]2[C@@H](/C=C/[C@@H](C3CC3)O)C)([H])[C@@H](OC(C4=CC=CC=C4)=O)CCC1
Tpsa:
46.53
Logp:
5.3916
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
6