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Saccharocarcin A

CAT: 0543-S073-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0543-S073-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
158475-32-2
Applications
Microbiology.
Purity
>95% by HPLC
Molecular Formula
C67H101NO20
Molecular Weight
1240.5
Shipping Conditions
Ambient
Storage Conditions
-20°C

Chemical Information

N-[6-[[(7Z,11Z,23Z)-17-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-23-hydroxy-8,10,12,18,20,22-hexamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,14,23-pentaen-9-yl]oxy]-4-hydroxy-2,4-dimethyloxan-3-yl]acetamide

Saccharocarcin A has been reported in Lechevalieria aerocolonigenes with data available.

CAS Number158475-32-2
PubChem CID133562770
IUPAC NameN-[6-[[(7Z,11Z,23Z)-17-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-23-hydroxy-8,10,12,18,20,22-hexamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,14,23-pentaen-9-yl]oxy]-4-hydroxy-2,4-dimethyloxan-3-yl]acetamide
Molecular FormulaC67H101NO20
Molecular Weight1240.5
XLogP6.1
Topological Polar Surface Area286
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count20
Rotatable Bond Count12
Heavy Atom Count88
Formal Charge0
Complexity2700
SMILES
CCC1CC23C(C=C1)/C=C(\C(C(/C=C(\C4C=CC5C(C4(/C(=C(\C2=O)/C(=O)O3)/O)C)C(CC(C5OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)O)O)OC9CCC(C(O9)C)O)O)C)C)/C)C)OC1CC(C(C(O1)C)NC(=O)C)(C)O)/C
InChI
InChI=1S/C67H101NO20/c1-15-41-16-17-42-24-34(6)57(87-53-29-65(13,77)61(39(11)82-53)68-40(12)69)32(4)22-30(2)44-19-18-43-55(66(44,14)62(74)54-63(75)67(42,28-41)88-64(54)76)31(3)23-33(5)58(43)84-51-26-47(72)59(37(9)80-51)85-52-27-48(83-49-21-20-45(70)35(7)78-49)60(38(10)81-52)86-50-25-46(71)56(73)36(8)79-50/h16-19,22,24,31-33,35-39,41-53,55-61,70-74,77H,15,20-21,23,25-29H2,1-14H3,(H,68,69)/b30-22-,34-24-,62-54-
InChIKey
WBJMUCNBAGLXQP-MCSWFQKOSA-N
Chemical Structure
2D Structure
2D structure of N-[6-[[(7Z,11Z,23Z)-17-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-23-hydroxy-8,10,12,18,20,22-hexamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,14,23-pentaen-9-yl]oxy]-4-hydroxy-2,4-dimethyloxan-3-yl]acetamide
CAS: 158475-32-2
CID: 133562770
Formula: C67H101NO20
MW: 1240.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1240.5
XLogP36.1
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count20
Rotatable Bond Count12
Exact Mass1239.69169461
Monoisotopic Mass1239.69169461
Topological Polar Surface Area286 Ų
Heavy Atom Count88
Formal Charge0
Complexity2700
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count31
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5785263Saccharocarcin A
465801-01Saccharocarcin B

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