Chem
J-GLOBAL ID：200907065967400518   Nikkaji number：J1.245.771E

Yonarasterol F

ヨナラステロールF
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C29H44O4
Molecular formula furigana： C29-H44-O4
Molecular weight： 456.667
InChI： InChI=1S/C29H44O4/c1-14(2)15(3)17-11-18(17)16(4)20-7-8-21-19-12-24(32)29-25(33-29)10-9-23(31)28(29,6)26(19)22(30)13-27(20,21)5/h9-10,14-22,24-26,30,32H,7-8,11-13H2,1-6H3/t15-,16-,17-,18+,19+,20-,21+,22-,24-,25+,26-,27-,28-,29+/m1/s1
InChI key： VPWRRDIWCNRPQP-WVPUTYFTSA-N
SMILES： CC(C)[C@@H](C)[C@H]1C[C@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@]45O[C@H]4C=CC(=O)[C@]5(C)[C@H]3[C@H](O)C[C@]12C
Systematic name  (3)：
  • (22S,23R)-4β,5β-エポキシ-6β,11α-ジヒドロキシ-22,23-メタノ-5β-エルゴスタ-2-エン-1-オン
  • (1S,2R,6S,8S,9R,11S,12S,15R,16R,18R)-9,18-ジヒドロキシ-2,16-ジメチル-15-[(1R)-1-[(1S,2R)-2-[(2R)-3-メチルブタン-2-イル]シクロプロピル]エチル]-7-オキサペンタシクロ[9.7.0.02,8.06,8.012,16]オクタデカ-4-エン-3-オン
  • (1S,2R,6S,8S,9R,11S,12S,15R,16R,18R)-9,18-dihydroxy-2,16-dimethyl-15-[(1R)-1-[(1S,2R)-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadec-4-en-3-one
Other name (3)：
  • (22S,23R)-4β,5β-Epoxy-6β,11α-dihydroxy-22,23-methano-5β-ergost-2-en-1-one
  • ヨナラステロールF
  • Yonarasterol F
Thsaurus map：
Thesaurus Map

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