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Sporidesmolide I

CAT: 0543-S096-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0543-S096-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2900-38-1
Applications
Microbiology.
Purity
>95% by HPLC
Molecular Formula
C33H58N4O8
Molecular Weight
638.4
Shipping Conditions
Ambient
Storage Conditions
-20°C

Chemical Information

Sporidesmolide I

Sporidesmolide I has been reported in Pseudopithomyces chartarum and Pithomyces chartarum with data available.

CAS Number2900-38-1
PubChem CID91617625
IUPAC Name(3R,6R,9S,12S,15S,18S)-4-methyl-3,12-bis(2-methylpropyl)-6,9,15,18-tetra(propan-2-yl)-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane-2,5,8,11,14,17-hexone
Molecular FormulaC33H58N4O8
Molecular Weight638.8
XLogP6.3
Topological Polar Surface Area160
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count45
Formal Charge0
Complexity1060
SMILES
CC(C)C[C@H]1C(=O)O[C@H](C(=O)N[C@@H](C(=O)N([C@@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)C(C)C)CC(C)C)C)C(C)C)C(C)C
InChI
InChI=1S/C33H58N4O8/c1-16(2)14-22-32(42)44-26(20(9)10)30(40)36-25(19(7)8)31(41)37(13)23(15-17(3)4)33(43)45-27(21(11)12)29(39)35-24(18(5)6)28(38)34-22/h16-27H,14-15H2,1-13H3,(H,34,38)(H,35,39)(H,36,40)/t22-,23+,24-,25+,26-,27-/m0/s1
InChIKey
VDFMWZBFYMHHDB-HPVGXKMSSA-N
Chemical Structure
2D Structure
2D structure of Sporidesmolide I
CAS: 2900-38-1
CID: 91617625
Formula: C33H58N4O8
MW: 638.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight638.8
XLogP36.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass638.42546482
Monoisotopic Mass638.42546482
Topological Polar Surface Area160 Ų
Heavy Atom Count45
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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