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Sporidesmolide V

CAT: 0543-S099-0.5MGSize: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0543-S099-0.5MGSize:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
127072-57-5
Applications
Microbiology.
Purity
>95% by HPLC
Molecular Formula
C35H62N4O8
Molecular Weight
666.5
Shipping Conditions
Ambient
Storage Conditions
-20°C

Chemical Information

Sporidesmolide V

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

CAS Number127072-57-5
PubChem CID102273557
IUPAC Name(3S,6S,9S,12R,15R,18S)-15-[(2S)-butan-2-yl]-4-methyl-3,9,12-tris(2-methylpropyl)-6,18-di(propan-2-yl)-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane-2,5,8,11,14,17-hexone
Molecular FormulaC35H62N4O8
Molecular Weight666.9
XLogP7
Topological Polar Surface Area160
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count47
Formal Charge0
Complexity1090
SMILES
CC[C@H](C)[C@@H]1C(=O)N[C@@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)O[C@H](C(=O)N1)C(C)C)CC(C)C)C)C(C)C)CC(C)C)CC(C)C
InChI
InChI=1S/C35H62N4O8/c1-14-23(12)28-31(41)36-24(15-18(2)3)34(44)46-26(17-20(6)7)30(40)37-27(21(8)9)33(43)39(13)25(16-19(4)5)35(45)47-29(22(10)11)32(42)38-28/h18-29H,14-17H2,1-13H3,(H,36,41)(H,37,40)(H,38,42)/t23-,24+,25-,26-,27-,28+,29-/m0/s1
InChIKey
FUGMHZCDRCPQDM-DFTYQABXSA-N
Chemical Structure
2D Structure
2D structure of Sporidesmolide V
CAS: 127072-57-5
CID: 102273557
Formula: C35H62N4O8
MW: 666.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight666.9
XLogP37
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass666.45676495
Monoisotopic Mass666.45676495
Topological Polar Surface Area160 Ų
Heavy Atom Count47
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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