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Sargachromanol E

CAT: 0013-GTR19211428-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211428-03Size:100 mg
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Description
Sargachromanol E
CAS Number
856414-54-5
Smiles
CC1=C2C (CC[C@] (CC/C=C (/CC/C=C (/[C@@H] ([C@H] (C=C (C) C) O) O) \C) \C) (C) O2) =CC (O) =C1
Molecular Formula
C27H40O4
Molecular Weight
428.6
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sargachromanol E

sargachromanol E has been reported in Sargassum siliquastrum with data available.

CAS Number856414-54-5
PubChem CID11339386
IUPAC Name(4S,5S,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,6,10-triene-4,5-diol
Molecular FormulaC27H40O4
Molecular Weight428.6
XLogP6.4
Topological Polar Surface Area69.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity660
SMILES
CC1=CC(=CC2=C1O[C@](CC2)(C)CC/C=C(\C)/CC/C=C(\C)/[C@@H]([C@H](C=C(C)C)O)O)O
InChI
InChI=1S/C27H40O4/c1-18(2)15-24(29)25(30)20(4)11-7-9-19(3)10-8-13-27(6)14-12-22-17-23(28)16-21(5)26(22)31-27/h10-11,15-17,24-25,28-30H,7-9,12-14H2,1-6H3/b19-10+,20-11+/t24-,25-,27+/m0/s1
InChIKey
YIWOAJFKIIOXPS-BXYCSXDPSA-N
Chemical Structure
2D Structure
2D structure of Sargachromanol E
CAS: 856414-54-5
CID: 11339386
Formula: C27H40O4
MW: 428.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.6
XLogP36.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass428.29265975
Monoisotopic Mass428.29265975
Topological Polar Surface Area69.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity660
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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