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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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 Number	2900-38-1
PubChem CID	91617625
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 Formula	C33H58N4O8
Molecular Weight	638.8
XLogP	6.3
Topological Polar Surface Area	160
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	45
Formal Charge	0
Complexity	1060

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

CAS: 2900-38-1

CID: 91617625

Formula: C33H58N4O8

MW: 638.8

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	638.8
XLogP3	6.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	638.42546482
Monoisotopic Mass	638.42546482
Topological Polar Surface Area	160 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	1060
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Sporidesmolide I

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