CS-1001238
(1S,3S,4S,4aR,5S,6S,8S,11R,12aS)-3-(Acetyloxy)-5-(benzoyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-1,4,6,11-tetrahydroxy-4-(hydroxymethyl)-9,12a,13,13-tetramethyl-12-oxo-6,10-methanobenzocyclodecen-8-yl (αR,βS)-β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxybenzenepropanoate
Manufacturer: ChemScene
CAS Number: 1385028-85-2
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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
C₄₃H₅₅NO₁₅
Molecular Weight
825.89
Synonyms
None
SMILES
O(C(=O)C1=CC=CC=C1)[C@H]2[C@]3([C@](C)(C(=O)[C@H](O)C=4C(C)(C)[C@@]2(O)C[C@H](OC([C@@H]([C@@H](NC(OC(C)(C)C)=O)C5=CC=CC=C5)O)=O)C4C)[C@@H](O)C[C@H](OC(C)=O)[C@]3(CO)O)[H]
Tpsa
255.68
Logp
2.214
H Acceptors
15
H Donors
7
Rotatable Bonds
9
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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: C₄₃H₅₅NO₁₅
Molecular Weight: 825.89
Synonyms: None
SMILES: O(C(=O)C1=CC=CC=C1)[C@H]2[C@]3([C@](C)(C(=O)[C@H](O)C=4C(C)(C)[C@@]2(O)C[C@H](OC([C@@H]([C@@H](NC(OC(C)(C)C)=O)C5=CC=CC=C5)O)=O)C4C)[C@@H](O)C[C@H](OC(C)=O)[C@]3(CO)O)[H]
Tpsa: 255.68
Logp: 2.214
H Acceptors: 15
H Donors: 7
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₃H₅₅NO₁₅
Molecular Weight:
825.89
Synonyms:
None
SMILES:
O(C(=O)C1=CC=CC=C1)[C@H]2[C@]3([C@](C)(C(=O)[C@H](O)C=4C(C)(C)[C@@]2(O)C[C@H](OC([C@@H]([C@@H](NC(OC(C)(C)C)=O)C5=CC=CC=C5)O)=O)C4C)[C@@H](O)C[C@H](OC(C)=O)[C@]3(CO)O)[H]
Tpsa:
255.68
Logp:
2.214
H Acceptors:
15
H Donors:
7
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₂₈N₆O₇S₃
Molecular Weight: 620.72
Synonyms: None
SMILES: C(OCOC(C(C)(C)C)=O)(=O)C=1N2[C@@]([C@H](NC(/C(=N\OC)/C3=CSC(N)=N3)=O)C2=O)(SCC1/C=C/C4=C(C)N=CS4)[H]
Tpsa: 175.4
Logp: 2.29812
H Acceptors: 14
H Donors: 2
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₈N₆O₇S₃
Molecular Weight:
620.72
Synonyms:
None
SMILES:
C(OCOC(C(C)(C)C)=O)(=O)C=1N2[C@@]([C@H](NC(/C(=N\OC)/C3=CSC(N)=N3)=O)C2=O)(SCC1/C=C/C4=C(C)N=CS4)[H]
Tpsa:
175.4
Logp:
2.29812
H Acceptors:
14
H Donors:
2
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₃₀O₄
Molecular Weight: 334.45
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(CC3)(OC(=O)CC4)[H])(CC1)[H])[H])(CC[C@@H]2C(OC)=O)[H]
Tpsa: 52.6
Logp: 3.7238
H Acceptors: 4
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:
C₂₀H₃₀O₄
Molecular Weight:
334.45
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(CC3)(OC(=O)CC4)[H])(CC1)[H])[H])(CC[C@@H]2C(OC)=O)[H]
Tpsa:
52.6
Logp:
3.7238
H Acceptors:
4
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: C₁₄H₂₃NO₄
Molecular Weight: 269.34
Synonyms: None
SMILES: N1=C(C)C2(OCC)OC1C3COC(OCC32)CCC
Tpsa: 49.28
Logp: 1.9554
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₃NO₄
Molecular Weight:
269.34
Synonyms:
None
SMILES:
N1=C(C)C2(OCC)OC1C3COC(OCC32)CCC
Tpsa:
49.28
Logp:
1.9554
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
4