CS-1004531
(3β,11β,20β)-3,11-Dihydroxyolean-12-en-29-oic acid
Manufacturer: ChemScene
CAS Number: 67951-04-6
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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
C₃₀H₄₈O₄
Molecular Weight
472.70
Synonyms
None
SMILES
C[C@]12[C@@]([C@]3(C)[C@@](CC1)(C(C)(C)[C@@H](O)CC3)[H])([C@@H](O)C=C4[C@@]2(C)CC[C@]5(C)[C@]4(C[C@](C(O)=O)(C)CC5)[H])[H]
Tpsa
77.76
Logp
6.2044
H Acceptors
3
H Donors
3
Rotatable Bonds
1
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: C₃₀H₄₈O₄
Molecular Weight: 472.70
Synonyms: None
SMILES: C[C@]12[C@@]([C@]3(C)[C@@](CC1)(C(C)(C)[C@@H](O)CC3)[H])([C@@H](O)C=C4[C@@]2(C)CC[C@]5(C)[C@]4(C[C@](C(O)=O)(C)CC5)[H])[H]
Tpsa: 77.76
Logp: 6.2044
H Acceptors: 3
H Donors: 3
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:
C₃₀H₄₈O₄
Molecular Weight:
472.70
Synonyms:
None
SMILES:
C[C@]12[C@@]([C@]3(C)[C@@](CC1)(C(C)(C)[C@@H](O)CC3)[H])([C@@H](O)C=C4[C@@]2(C)CC[C@]5(C)[C@]4(C[C@](C(O)=O)(C)CC5)[H])[H]
Tpsa:
77.76
Logp:
6.2044
H Acceptors:
3
H Donors:
3
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: C₈H₇NO₂
Molecular Weight: 149.15
Synonyms: None
SMILES: O=C1C=C2NCCC2=CC1=O
Tpsa: 46.17
Logp: -0.0582
H Acceptors: 3
H Donors: 1
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:
C₈H₇NO₂
Molecular Weight:
149.15
Synonyms:
None
SMILES:
O=C1C=C2NCCC2=CC1=O
Tpsa:
46.17
Logp:
-0.0582
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₅NO₂
Molecular Weight: 311.42
Synonyms: None
SMILES: O=C(C1=CC=C(OCCN(C)C)C=C1)C(C=2C=CC=CC2)CC
Tpsa: 29.54
Logp: 4.0035
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 8
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₅NO₂
Molecular Weight:
311.42
Synonyms:
None
SMILES:
O=C(C1=CC=C(OCCN(C)C)C=C1)C(C=2C=CC=CC2)CC
Tpsa:
29.54
Logp:
4.0035
H Acceptors:
3
H Donors:
0
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: C₃₉H₃₆Br₂P₂
Molecular Weight: 726.46
Synonyms: None
SMILES: BrP(C=1C=CC=CC1)(C=2C=CC=CC2)(C=3C=CC=CC3)CCCP(Br)(C=4C=CC=CC4)(C=5C=CC=CC5)C=6C=CC=CC6
Tpsa: 0
Logp: 9.0559
H Acceptors: 0
H Donors: 0
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₉H₃₆Br₂P₂
Molecular Weight:
726.46
Synonyms:
None
SMILES:
BrP(C=1C=CC=CC1)(C=2C=CC=CC2)(C=3C=CC=CC3)CCCP(Br)(C=4C=CC=CC4)(C=5C=CC=CC5)C=6C=CC=CC6
Tpsa:
0
Logp:
9.0559
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
10