Chem
J-GLOBAL ID:200907005900426110
Nikkaji number:J2.031.973I
Maytefolin C
マイテホリンC
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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:
C27 H44 O2
Molecular formula furigana:
C27-H44-O2
Molecular weight:
400.647
InChI:
InChI=1S/C27H44O2/c1-17(16-28)6-5-7-18(2)20-14-15-27(4)24(20)12-9-23-22-10-13-26(29)19(3)21(22)8-11-25(23)27/h5-6,17-25,28H,7-16H2,1-4H3/t17-,18-,19-,20+,21-,22-,23+,24+,25+,27+/m1/s1
InChI key:
NAAABDLWQVZMBK-RBTMULLISA-N
SMILES:
C[C@@H](CO)C=CC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@H]1[C@@H]3CCC(=O)[C@H](C)[C@H]3CC[C@H]21
Systematic name (3):
(4R,5S,10S,17S)-26-ヒドロキシ-18,19-ジノル-5α-フシダ-23-エン-3-オン
(1S,3aS,3bS,5aS,6R,9aS,9bS,11aS)-1-[(2R,6R)-7-ヒドロキシ-6-メチルヘプタ-4-エン-2-イル]-3a,6-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-オン
(1S,3aS,3bS,5aS,6R,9aS,9bS,11aS)-1-[(2R,6R)-7-hydroxy-6-methylhept-4-en-2-yl]-3a,6-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-one
Other name (3):
(4R,5S,10S,17S)-26-Hydroxy-18,19-dinor-5α-fusida-23-ene-3-one
Maytefolin C
マイテホリンC
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