CS-0096099
(1R,2R,3R)-5-((Z)-2-((1R,3aR,7aR)-1-((R)-6-Hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl)vinyl)-2-(3-hydroxypropoxy)-4-methylcyclohex-4-ene-1,3-diol
Manufacturer: ChemScene
CAS Number: 201854-22-0
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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
C₃₀H₅₀O₅
Molecular Weight
490.72
Synonyms
None
SMILES
O[C@@H]1C(C)=C(/C=C\C2=CCC[C@@]3(C)[C@@]2([H])CC[C@]3([H])[C@@H](CCCC(C)(O)C)C)C[C@@H](O)[C@H]1OCCCO
Tpsa
90.15
Logp
5.0822
H Acceptors
5
H Donors
4
Rotatable Bonds
11
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₃₀H₅₀O₅
Molecular Weight: 490.72
Synonyms: None
SMILES: O[C@@H]1C(C)=C(/C=C\C2=CCC[C@@]3(C)[C@@]2([H])CC[C@]3([H])[C@@H](CCCC(C)(O)C)C)C[C@@H](O)[C@H]1OCCCO
Tpsa: 90.15
Logp: 5.0822
H Acceptors: 5
H Donors: 4
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₅₀O₅
Molecular Weight:
490.72
Synonyms:
None
SMILES:
O[C@@H]1C(C)=C(/C=C\C2=CCC[C@@]3(C)[C@@]2([H])CC[C@]3([H])[C@@H](CCCC(C)(O)C)C)C[C@@H](O)[C@H]1OCCCO
Tpsa:
90.15
Logp:
5.0822
H Acceptors:
5
H Donors:
4
Rotatable Bonds:
11
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₅BrN₂O₂
Molecular Weight: 299.16
Synonyms: None
SMILES: O=C(N1CCC2=NC(Br)=CC=C21)OC(C)(C)C
Tpsa: 42.43
Logp: 3.1417
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 0
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₅BrN₂O₂
Molecular Weight:
299.16
Synonyms:
None
SMILES:
O=C(N1CCC2=NC(Br)=CC=C21)OC(C)(C)C
Tpsa:
42.43
Logp:
3.1417
H Acceptors:
3
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: C₉H₁₀BrNO
Molecular Weight: 228.09
Synonyms: None
SMILES: OC1CNC2=C(C=C(Br)C=C2)C1
Tpsa: 32.26
Logp: 1.778
H Acceptors: 2
H Donors: 2
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:
C₉H₁₀BrNO
Molecular Weight:
228.09
Synonyms:
None
SMILES:
OC1CNC2=C(C=C(Br)C=C2)C1
Tpsa:
32.26
Logp:
1.778
H Acceptors:
2
H Donors:
2
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: C₁₅H₂₅NO₄
Molecular Weight: 283.36
Synonyms: None
SMILES: O=C(OC(C)(C)C)N(CC1)CCC21CC2CC(OC)=O
Tpsa: 55.84
Logp: 2.5867
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₅NO₄
Molecular Weight:
283.36
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N(CC1)CCC21CC2CC(OC)=O
Tpsa:
55.84
Logp:
2.5867
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2