(1'R,2S,2'R,3'S,7'R,9'R,10'R)-3',10'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-4'-one



Compound number:
MolPort-003-925-048
CAS number: 2425-54-9; 51481-10-8
IUPAC:
(1'R,2S,2'R,3'S,7'R,9'R,10'R)-3',10'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-4'-one
IUPAC traditional:
vomitoxin
SMILES:
CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@@](C)([C@]33CO3)[C@@]2(CO)[C@H](O)C1=O |t:1,TLB:15:14:11:8.6,THB:17:14:11:8.6,2:3:11:8.6|
InChI key:
LINOMUASTDIRTM-QGRHZQQGSA-N
Molecular formula:
C15H20O6
Molecular weight: 296.319
Solubility: not available

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1 mg February 12, 2021 211.56 USD
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1 mg January 27, 2021 361.00 USD
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1 mg February 19, 2021 95.46 USD
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5 mg February 19, 2021 347.01 USD
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1 mg January 28, 2021 112.23 USD
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1 mg January 29, 2021 140.00 USD
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10 mg January 29, 2021 841.00 USD
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50 mg February 8, 2021 2077.00 USD
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Catalog: Building blocks Ships out: 8 business days Purity: ≥98%
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1 mg February 2, 2021 411.00 USD
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Catalog: Building blocks Ships out: 7 business days Purity: 98%
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5 mg February 2, 2021 542.00 USD
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Catalog: Building blocks Ships out: 5 business days Purity: 97%
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1 mg January 29, 2021 191.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-003-925-048
CAS number: 2425-54-9; 51481-10-8

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000005457778
MFCD09039270
1-Chlorotetradecane
(3α,​7α)-​3,​7,​15-​trihydroxy-​12,​13-​epoxytrichothec-​9-​en-​8-​one
Deoxynivalenol
DON | Vomitoxin |
Trichothec-9-en-8-one, 12,13-epoxy-3,7,15-trihydroxy-, (3a,7a)-

InChI
InChI: 1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1
InChI key: LINOMUASTDIRTM-QGRHZQQGSA-N

Calculated Properties
Molecular formula: C15H20O6
Molecular weight: 296.319

Other

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