CS-0013495
(1R,2R,3R,Z)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,2,3-triol
Manufacturer: ChemScene
CAS Number: 147088-10-6
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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
C₂₇H₄₄O₄
Molecular Weight
432.64
Synonyms
None
SMILES
C[C@]1(CCC/2)[C@](CC[C@]1([H])[C@@H](CCCC(C)(O)C)C)([H])C2=C\C=C3C[C@@H](O)[C@@H](O)[C@H](O)C\3=C
Tpsa
80.92
Logp
4.6755
H Acceptors
4
H Donors
4
Rotatable Bonds
6
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: C₂₇H₄₄O₄
Molecular Weight: 432.64
Synonyms: None
SMILES: C[C@]1(CCC/2)[C@](CC[C@]1([H])[C@@H](CCCC(C)(O)C)C)([H])C2=C\C=C3C[C@@H](O)[C@@H](O)[C@H](O)C\3=C
Tpsa: 80.92
Logp: 4.6755
H Acceptors: 4
H Donors: 4
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:
C₂₇H₄₄O₄
Molecular Weight:
432.64
Synonyms:
None
SMILES:
C[C@]1(CCC/2)[C@](CC[C@]1([H])[C@@H](CCCC(C)(O)C)C)([H])C2=C\C=C3C[C@@H](O)[C@@H](O)[C@H](O)C\3=C
Tpsa:
80.92
Logp:
4.6755
H Acceptors:
4
H Donors:
4
Rotatable Bonds:
6
Purity: 95%
MDL No: MFCD29905622
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₈F₂O₃
Molecular Weight: 226.18
Synonyms: methyl (E)-3-(3,5-difluoro-4-formylphenyl)prop-2-enoate
SMILES: O=C(OC)/C=C/C1=CC(F)=C(C=O)C(F)=C1
Tpsa: 43.37
Logp: 1.9635
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 3
Purity:
95%
MDL No:
MFCD29905622
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₈F₂O₃
Molecular Weight:
226.18
Synonyms:
methyl (E)-3-(3,5-difluoro-4-formylphenyl)prop-2-enoate
SMILES:
O=C(OC)/C=C/C1=CC(F)=C(C=O)C(F)=C1
Tpsa:
43.37
Logp:
1.9635
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₂₇F₃N₂O₂
Molecular Weight: 456.50
Synonyms: None
SMILES: O=C(OC)/C=C/C1=CC(F)=C([C@H]2N(CC(C)(F)C)[C@H](C)CC3=C2NC4=C3C=CC=C4)C(F)=C1
Tpsa: 45.33
Logp: 5.7164
H Acceptors: 3
H Donors: 1
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:
C₂₆H₂₇F₃N₂O₂
Molecular Weight:
456.50
Synonyms:
None
SMILES:
O=C(OC)/C=C/C1=CC(F)=C([C@H]2N(CC(C)(F)C)[C@H](C)CC3=C2NC4=C3C=CC=C4)C(F)=C1
Tpsa:
45.33
Logp:
5.7164
H Acceptors:
3
H Donors:
1
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: C₁₃H₁₇Cl₂N₃O
Molecular Weight: 302.20
Synonyms: None
SMILES: C[C@H]1NCCN(C2=NC3=CC(Cl)=CC=C3O2)CC1.[H]Cl
Tpsa: 41.3
Logp: 3.0912
H Acceptors: 4
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:
C₁₃H₁₇Cl₂N₃O
Molecular Weight:
302.20
Synonyms:
None
SMILES:
C[C@H]1NCCN(C2=NC3=CC(Cl)=CC=C3O2)CC1.[H]Cl
Tpsa:
41.3
Logp:
3.0912
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1