Chem
J-GLOBAL ID:201007014729940986
Nikkaji number:J2.778.506I 6,8a-Seco-6,8a-deoxy-5-oxoavermectin′′2b′′aglycone 6,8a-セコ-6,8a-デオキシ-5オキソアベルメクチン′′2b′′アグリコン
Download MOL file 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: C33 H48 O8 Molecular formula furigana:
C33-H48-O8
Molecular weight:
572.739
InChI:
InChI=1S/C33H48O8/c1-18(2)30-23(7)28(35)16-32(41-30)15-25-14-24(40-32)12-11-20(4)29(36)19(3)9-8-10-22(6)33(38)17-27(34)21(5)13-26(33)31(37)39-25/h8-11,13,18-19,23-26,28-30,35-36,38H,12,14-17H2,1-7H3/b9-8+,20-11+,22-10+/t19-,23-,24+,25-,26-,28-,29-,30+,32-,33+/m0/s1
InChI key:
SAJJUKVDFSFJNK-LJMQVFQTSA-N
SMILES:
CC(C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)/[C@@H](O)[C@@H](C)/C=C/C=C(\C)/[C@]4(O)CC(=O)C(=C[C@H]4C(=O)O3)C)O2)C[C@H](O)[C@@H]1C
Systematic name (3): (4′S,4aR,5′S,6′R,7S,9R,11R,13E,15S,16S,17E,19E,20aS)-4′,15,20a-トリヒドロキシ-3′,4′,4a,5′,6′,7,8,11,12,15,16,20a-ドデカヒドロ-6′-イソプロピル-3,5′,14,16,20-ペンタメチル-7,11-メタノ-5H-6,10-ジオキサスピロ[ベンゾシクロオクタデセン-9(10H),2′-[2H]ピラン]-2,5(1H)-ジオン (1'S,2R,4S,4'R,5S,6R,9'S,10'E,12'E,14'S,15'S,16'E,19'R)-4,9',15'-トリヒドロキシ-5,6',10',14',16'-ペンタメチル-6-(プロパン-2-イル)-2',20'-ジオキサスピロ[オキサン-2,21'-トリシクロ[17.3.1.04,9 ]トリコサン]-5',10',12',16'-テトラエン-3',7'-ジオン (1'S,2R,4S,4'R,5S,6R,9'S,10'E,12'E,14'S,15'S,16'E,19'R)-4,9',15'-trihydroxy-5,6',10',14',16'-pentamethyl-6-(propan-2-yl)-2',20'-dioxaspiro[oxane-2,21'-tricyclo[17.3.1.04,9 ]tricosane]-5',10',12',16'-tetraene-3',7'-dione Other name (4): 6,8a-セコ-6,8a-デオキシ-5オキソアベルメクチン′′2b′′アグリコン 6,8a-Seco-6,8a-deoxy-5-oxoavermectin′′2b′′aglycone 6,8a-セコ-6,8a-デオキシ-5オキソエバーメクチン′′2b′′アグリコン (4′S,4aR,5′S,6′R,7S,9R,11R,13E,15S,16S,17E,19E,20aS)-4′,15,20a-Trihydroxy-3′,4′,4a,5′,6′,7,8,11,12,15,16,20a-dodecahydro-6′-isopropyl-3,5′,14,16,20-pentamethyl-7,11-methano-5H-6,10-dioxaspiro[benzocyclooctadecene-9(10H),2′-[2H]pyran]-2,5(1H)-dione Thsaurus map: Return to Previous Page