CS-0542685
(4S,6aR,6bS,8aS,8bR,9S,12aS,12bS)-6a,8a,9-trimethyl-1,3,3',4,4',5,5',6,6a,6b,6',7,8,8a,8b,9,11a,12,12a,12b-icosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-ol
Manufacturer: ChemScene
CAS Number: 1231186-21-2
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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
C₂₆H₄₀O₃
Molecular Weight
400.59
Synonyms
None
SMILES
C[C@@]12[C@@]3(C(C[C@]1([C@]4([C@](CC2)([C@]5(C)C(=CC4)C[C@@H](O)CC5)[H])[H])[H])OC6([C@H]3C)CCCCO6)[H]
Tpsa
38.69
Logp
5.4679
H Acceptors
3
H Donors
1
Rotatable Bonds
0
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: C₂₆H₄₀O₃
Molecular Weight: 400.59
Synonyms: None
SMILES: C[C@@]12[C@@]3(C(C[C@]1([C@]4([C@](CC2)([C@]5(C)C(=CC4)C[C@@H](O)CC5)[H])[H])[H])OC6([C@H]3C)CCCCO6)[H]
Tpsa: 38.69
Logp: 5.4679
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:
C₂₆H₄₀O₃
Molecular Weight:
400.59
Synonyms:
None
SMILES:
C[C@@]12[C@@]3(C(C[C@]1([C@]4([C@](CC2)([C@]5(C)C(=CC4)C[C@@H](O)CC5)[H])[H])[H])OC6([C@H]3C)CCCCO6)[H]
Tpsa:
38.69
Logp:
5.4679
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: MFCD03839080
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₃₂O₂
Molecular Weight: 328.49
Synonyms: None
SMILES: CCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)O
Tpsa: 37.3
Logp: 6.5489
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 14
Purity:
98%
MDL No:
MFCD03839080
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₃₂O₂
Molecular Weight:
328.49
Synonyms:
None
SMILES:
CCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)O
Tpsa:
37.3
Logp:
6.5489
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
14
Purity: 97%
MDL No: MFCD00912114
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₀N₂O₄
Molecular Weight: 222.20
Synonyms: (5aS,10aS)-Tetrahydrodipyrrolo[1,2-a:1',2'-d]pyrazine-3,5,8,10(2H,5aH)-tetraone
SMILES: C1CC(=O)N2[C@@H]1C(=O)N3[C@H](C2=O)CCC3=O
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
97%
MDL No:
MFCD00912114
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₀N₂O₄
Molecular Weight:
222.20
Synonyms:
(5aS,10aS)-Tetrahydrodipyrrolo[1,2-a:1',2'-d]pyrazine-3,5,8,10(2H,5aH)-tetraone
SMILES:
C1CC(=O)N2[C@@H]1C(=O)N3[C@H](C2=O)CCC3=O
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₃₀O₃
Molecular Weight: 330.46
Synonyms: 5A-pregnane-3,11,20-trione
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C
Tpsa: 51.21
Logp: 3.9824
H Acceptors: 3
H Donors: 0
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:
C₂₁H₃₀O₃
Molecular Weight:
330.46
Synonyms:
5A-pregnane-3,11,20-trione
SMILES:
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C
Tpsa:
51.21
Logp:
3.9824
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1