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Antibiotic Sch 60059

CAT: 0013-GTR19228495-01Size: 1 mgDry Ice: NoHazardous: No
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Description
Antibiotic Sch 60059
CAS Number
203061-30-7
Field of Research
Signal Transduction
Smiles
CC (C) =CCCC (C) (O) CCCC (C) (O) CCCC (C) (O) CCCC (C) (O) CCCC (C) (O) CCCC (C) (O) C (O) CC\C (C) =C\CC\C (C) =C\CO[C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O
Molecular Formula
C51H96O13
Molecular Weight
917.316
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(30E,34E)-2,6,10,14,18,22,26,30,34-nonamethyl-36-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-2,30,34-triene-6,10,14,18,22,26,27-heptol

SCH 60059 is a polyterpenoid.

CAS Number203061-30-7
PubChem CID9876222
IUPAC Name(30E,34E)-2,6,10,14,18,22,26,30,34-nonamethyl-36-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-2,30,34-triene-6,10,14,18,22,26,27-heptol
Molecular FormulaC51H96O13
Molecular Weight917.3
XLogP6
Topological Polar Surface Area241
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count13
Rotatable Bond Count34
Heavy Atom Count64
Formal Charge0
Complexity1400
SMILES
CC(=CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(C(CC/C(=C/CC/C(=C/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)O)O)O)O)O)O)O)C
InChI
InChI=1S/C51H96O13/c1-37(2)18-12-24-46(5,57)25-13-26-47(6,58)27-14-28-48(7,59)29-15-30-49(8,60)31-16-32-50(9,61)33-17-34-51(10,62)41(53)22-21-38(3)19-11-20-39(4)23-35-63-45-44(56)43(55)42(54)40(36-52)64-45/h18-19,23,40-45,52-62H,11-17,20-22,24-36H2,1-10H3/b38-19+,39-23+/t40-,41?,42-,43+,44-,45-,46?,47?,48?,49?,50?,51?/m1/s1
InChIKey
MONOOAYGIBRELN-REQVTYDXSA-N
Chemical Structure
2D Structure
2D structure of (30E,34E)-2,6,10,14,18,22,26,30,34-nonamethyl-36-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-2,30,34-triene-6,10,14,18,22,26,27-heptol
CAS: 203061-30-7
CID: 9876222
Formula: C51H96O13
MW: 917.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight917.3
XLogP36
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count13
Rotatable Bond Count34
Exact Mass916.68509311
Monoisotopic Mass916.68509311
Topological Polar Surface Area241 Ų
Heavy Atom Count64
Formal Charge0
Complexity1400
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count7
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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