Brassicasterol

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Brassicasterol

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Brassicasterol
First synonym: Brassicasterol
Synonyms: BRASSICASTEROL,474-67-9,Brassicasterin,UNII-2B0KG2XFOF,Ergosta-5,22(E)-dien-3beta-ol,Ergosta-5,22-dien-3-ol, (3b,22E)-,Ergosta-5,22E-dien-3beta-ol,2B0KG2XFOF,(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol,5,22-Cholestadien-24beta-methyl-3beta-ol,24(R)-Methylcholesta-5,22E-dien-3beta-ol,Ergosta-5,22-dien-3beta-ol,24-Methylcholesta-5,22-dien-3beta-ol,EINECS 207-486-5,5,22-Ergostadienol,5,22-Ergostadien-3beta-ol,SCHEMBL165980,CHEBI:3168,DTXSID80197124,Brassicasterol, from semisynthetic,ZINC4097813,LMST01030098,MFCD00201659,(22E)-ergosta-5,22-dien-3beta-ol,24-methyl cholest-5,22-dien-3beta-ol,(3beta,22E)-ergosta-5,22-dien-3-ol,AS-78829,Ergosta-5,22-dien-3-ol, (3beta,22E)-,C08813,Q2700587,(22E,24R)-24-methylcholesta-5,22-dien-3beta-ol,UNII-B46B6DD20U component OILXMJHPFNGGTO-ZAUYPBDWSA-N

Smiles: CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
Isomeric smiles: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
Inchi: InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1
Inchikey: OILXMJHPFNGGTO-ZAUYPBDWSA-N

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Fungi id	Species
196	Aspergillus oryzae