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7β,8β-Epoxyroridin H

CAT: 0931-TN10290-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10290-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
64687-85-0
Target
Antibacterial, Antibiotic
Related Pathways
Microbiology/Virology
Bioactivity
7β,8β-2′,3′-Diepoxyroridin H is an antibiotic displaying activity against both Gram-positive and Gram-negative bacteria.
Smiles
O=C1OCC23C(OC4CC(OC(=O)C=CC=CC5OC(OC5C)CC(=C1)C)C2(C)C64OC6)C=C(C)C7OC73
Molecular Formula
C29H34O9
Molecular Weight
526.575
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

7beta,8beta-Epoxyroridin H

7beta,8beta-epoxyroridin H is a trichothecene.

CAS Number64687-85-0
PubChem CID139589334
IUPAC Name(3R,8S,9S,13Z,20Z,22Z,26R,28S)-5,14,18,27-tetramethylspiro[2,7,11,17,25,30-hexaoxahexacyclo[24.2.1.116,19.03,9.06,8.09,27]triaconta-4,13,20,22-tetraene-28,2'-oxirane]-12,24-dione
Molecular FormulaC29H34O9
Molecular Weight526.6
XLogP1.8
Topological Polar Surface Area105
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count0
Heavy Atom Count38
Formal Charge0
Complexity1190
SMILES
CC1C2/C=C\C=C/C(=O)O[C@@H]3CC4[C@]5(C3([C@]6(COC(=O)/C=C(\CC(O1)O2)/C)[C@H](O4)C=C(C7[C@H]6O7)C)C)CO5
InChI
InChI=1S/C29H34O9/c1-15-9-23(31)32-13-28-20(11-16(2)25-26(28)38-25)36-21-12-19(27(28,4)29(21)14-33-29)37-22(30)8-6-5-7-18-17(3)34-24(10-15)35-18/h5-9,11,17-21,24-26H,10,12-14H2,1-4H3/b7-5-,8-6-,15-9-/t17?,18?,19-,20-,21?,24?,25?,26-,27?,28-,29+/m1/s1
InChIKey
VXOJFQZXGUOVSR-NIACSNKHSA-N
Chemical Structure
2D Structure
2D structure of 7beta,8beta-Epoxyroridin H
CAS: 64687-85-0
CID: 139589334
Formula: C29H34O9
MW: 526.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.6
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count0
Exact Mass526.22028266
Monoisotopic Mass526.22028266
Topological Polar Surface Area105 Ų
Heavy Atom Count38
Formal Charge0
Complexity1190
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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