CS-1001582
(3R,5aS,6R,8aS,9R,10S,12R,12aR)-10-[[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-Decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl]oxy]decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin
Manufacturer: ChemScene
CAS Number: 150358-71-7
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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
C₃₀H₄₆O₉
Molecular Weight
550.68
Synonyms
None
SMILES
C[C@@H]1[C@]2([C@]34[C@](O[C@@H]1O[C@H]5O[C@]6([C@]78[C@]([C@H]5C)(CC[C@@H](C)[C@@]7(CC[C@](C)(O6)OO8)[H])[H])[H])(O[C@](C)(OO3)CC[C@]4([C@H](C)CC2)[H])[H])[H]
Tpsa
83.07
Logp
5.419
H Acceptors
9
H Donors
0
Rotatable Bonds
2
Related Products
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: C₃₀H₄₆O₉
Molecular Weight: 550.68
Synonyms: None
SMILES: C[C@@H]1[C@]2([C@]34[C@](O[C@@H]1O[C@H]5O[C@]6([C@]78[C@]([C@H]5C)(CC[C@@H](C)[C@@]7(CC[C@](C)(O6)OO8)[H])[H])[H])(O[C@](C)(OO3)CC[C@]4([C@H](C)CC2)[H])[H])[H]
Tpsa: 83.07
Logp: 5.419
H Acceptors: 9
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:
C₃₀H₄₆O₉
Molecular Weight:
550.68
Synonyms:
None
SMILES:
C[C@@H]1[C@]2([C@]34[C@](O[C@@H]1O[C@H]5O[C@]6([C@]78[C@]([C@H]5C)(CC[C@@H](C)[C@@]7(CC[C@](C)(O6)OO8)[H])[H])[H])(O[C@](C)(OO3)CC[C@]4([C@H](C)CC2)[H])[H])[H]
Tpsa:
83.07
Logp:
5.419
H Acceptors:
9
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: C₈H₁₁NO₄S
Molecular Weight: 217.24
Synonyms: None
SMILES: C(O)(=O)[C@@H]1N2[C@@]([C@@H](O)C2=O)(SC1(C)C)[H]
Tpsa: 77.84
Logp: -0.5058
H Acceptors: 4
H Donors: 2
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:
C₈H₁₁NO₄S
Molecular Weight:
217.24
Synonyms:
None
SMILES:
C(O)(=O)[C@@H]1N2[C@@]([C@@H](O)C2=O)(SC1(C)C)[H]
Tpsa:
77.84
Logp:
-0.5058
H Acceptors:
4
H Donors:
2
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: C₁₄H₁₈O₄
Molecular Weight: 250.29
Synonyms: None
SMILES: O=C(C1=CC(OC)=C(C=C1OC)C(=O)CC)CC
Tpsa: 52.6
Logp: 2.8892
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₈O₄
Molecular Weight:
250.29
Synonyms:
None
SMILES:
O=C(C1=CC(OC)=C(C=C1OC)C(=O)CC)CC
Tpsa:
52.6
Logp:
2.8892
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₆BrN₃O₂
Molecular Weight: 232.03
Synonyms: None
SMILES: O=C(OC)C1=NC=C(Br)N=C1N
Tpsa: 78.1
Logp: 0.6079
H Acceptors: 5
H Donors: 1
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:
C₆H₆BrN₃O₂
Molecular Weight:
232.03
Synonyms:
None
SMILES:
O=C(OC)C1=NC=C(Br)N=C1N
Tpsa:
78.1
Logp:
0.6079
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
1