CS-0654510
(1R,3R)-5-((E)-2-((1R,3aS,7aR)-1-((2S,5S,E)-6-Hydroxy-5,6-dimethylhept-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)cyclohexane-1,3-diol
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
C₂₇H₄₄O₃
Molecular Weight
416.64
Synonyms
None
SMILES
C[C@@]12[C@](CC[C@@H]2[C@H](/C=C/[C@H](C)C(C)(C)O)C)([H])/C(CCC1)=C/C=C3C[C@@H](O)C[C@H](O)C\3
Tpsa
60.69
Logp
5.5606
H Acceptors
3
H Donors
3
Rotatable Bonds
5
Other Options
...
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: C₂₇H₄₄O₃
Molecular Weight: 416.64
Synonyms: None
SMILES: C[C@@]12[C@](CC[C@@H]2[C@H](/C=C/[C@H](C)C(C)(C)O)C)([H])/C(CCC1)=C/C=C3C[C@@H](O)C[C@H](O)C\3
Tpsa: 60.69
Logp: 5.5606
H Acceptors: 3
H Donors: 3
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:
C₂₇H₄₄O₃
Molecular Weight:
416.64
Synonyms:
None
SMILES:
C[C@@]12[C@](CC[C@@H]2[C@H](/C=C/[C@H](C)C(C)(C)O)C)([H])/C(CCC1)=C/C=C3C[C@@H](O)C[C@H](O)C\3
Tpsa:
60.69
Logp:
5.5606
H Acceptors:
3
H Donors:
3
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: C₁₀H₁₅BF₄O₂
Molecular Weight: 254.03
Synonyms: None
SMILES: F/C(B1OC(C)(C(C)(C)O1)C)=C\CC(F)(F)F
Tpsa: 18.46
Logp: 3.4236
H Acceptors: 2
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:
C₁₀H₁₅BF₄O₂
Molecular Weight:
254.03
Synonyms:
None
SMILES:
F/C(B1OC(C)(C(C)(C)O1)C)=C\CC(F)(F)F
Tpsa:
18.46
Logp:
3.4236
H Acceptors:
2
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: C₇H₆N₂O₃
Molecular Weight: 166.13
Synonyms: None
SMILES: O=C(C1=NN=C(C(C)=O)C=C1)O
Tpsa: 80.15
Logp: 0.3774
H Acceptors: 4
H Donors: 1
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:
C₇H₆N₂O₃
Molecular Weight:
166.13
Synonyms:
None
SMILES:
O=C(C1=NN=C(C(C)=O)C=C1)O
Tpsa:
80.15
Logp:
0.3774
H Acceptors:
4
H Donors:
1
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: C₈H₉LiN₂O₂
Molecular Weight: 172.11
Synonyms: None
SMILES: O=C(C1=NC=CN=C1C(C)C)O[Li]
Tpsa: 52.08
Logp: 0.8403
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:
C₈H₉LiN₂O₂
Molecular Weight:
172.11
Synonyms:
None
SMILES:
O=C(C1=NC=CN=C1C(C)C)O[Li]
Tpsa:
52.08
Logp:
0.8403
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2