Neo-gambogic acid（CAS番号：93772-31-7）

Neo-gambogic acid

基本情報

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CAS番号

93772-31-7

分子式

C38H46O9

分子量

646.77 g/mol

化学分類

基礎化学原料有機化学品カルボン酸類

基礎化学原料有機化学品ケトン類

基礎化学原料有機化学品エーテル類

基礎化学原料有機化学品複素環化合物

医薬化学品医薬中間体複素環中間体

精密化学品染料および顔料有機染料

精密化学品界面活性剤アニオン性界面活性剤

実験室化学品研究用化学品生化学試薬

基本的な物理特性

物理状態

Yellow cryst.

密度

1.32

SMILES

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CC(=CCCC1(CC(C2=C(C3=C(C(=C2O1)CC=C(C)C)OC45C6CC(C=C4C3=O)C(=O)C5(OC6(C)C)CC=C(C)C(=O)O)O)O)C)C

InChI

InChI=1S/C38H46O9/c1-19(2)10-9-14-36(8)18-25(39)27-30(41)28-29(40)24-16-22-17-26-35(6,7)47-37(33(22)42,15-13-21(5)34(43)44)38(24,26)46-32(28)23(31(27)45-36)12-11-20(3)4/h10-11,13,16,22,25-26,39,41H,9,12,14-15,17-18H2,1-8H3,(H,43,44)

InChIKey

BLDWFKHVHHINGR-UHFFFAOYSA-N

LogP

6.649600000000008

トポロジカル極性表面積

139.59 Å²

水素結合ドナー/アクセプター

3 / 9

複雑度

1480

同義語と引用データ

英語

2-Butenoic acid,4-[3a,4,5,7,10,11-hexahydro-8,9-dihydroxy-3,3,11-trimethyl-13-(3-methyl-2-buten-1-yl)-11-(4-methyl-3-penten-1-yl)-7,15-dioxo-1,5-methano-1H,3H,9H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-methyl-
Neogambogic acid
neo-gambogic acid
2-Butenoic acid,4-(3a,4,5,7,10,11-hexahydro-8,9-dihydroxy-3,3,11-trimethyl-13-(3-methyl-2-butenyl)-11-(4-methyl-3-pentenyl)-7,15-dioxo-1,5-methano-1H,3H,9H-furo(3,4-g)pyrano(3,2-b)xanthen-1-yl)-2-methyl
V1982
4-[3a,4,5,7,10,11-Hexahydro-8,9-dihydroxy-3,3,11-trimethyl-13-(3-methyl-2-buten-1-yl)-11-(4-methyl-3-penten-1-yl)-7,15-dioxo-1,5-methano-1H,3H,9H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-methyl-2-butenoic acid
(E)-4-[(2S,8R,17S)-10,12-Dihydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-
Gambogenic acid
(2Z)-4-[(1R,3aS,5S,11R,14aS)-3a,4,5,7,10,11-Hexahydro-8,9-dihydroxy-3,3,11-trimethyl-13-(3-methyl-2-buten-1-yl)-11-(4-methyl-3-penten-1-yl)-7,15-dioxo-1,5-methano-1H,3H,9H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-methyl-2-butenoic acid (ACI)
1,5-Methano-1H,3H,9H-furo[3,4-g]pyrano[3,2-b]xanthene, 2-butenoic acid deriv. (ZCI)
2-Butenoic acid, 4-[(1R,3aS,5S,11R,14aS)-3a,4,5,7,10,11-hexahydro-8,9-dihydroxy-3,3,11-trimethyl-13-(3-methyl-2-butenyl)-11-(4-methyl-3-pentenyl)-7,15-dioxo-1,5-methano-1H,3H,9H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-methyl-, (2Z)- (9CI)
93772-31-7
FS-6930
AKOS040758796
1428127-36-9
2-Butenoic acid, 4-(3a,4,5,7,10,11-hexahydro-8,9-dihydroxy-3,3,11-trimethyl-13-(3-methyl-2-butenyl)-11-(4-methyl-3-pentenyl)-7,15-dioxo-1,5-methano-1H,3H,9H-furo(3,4-g)pyrano(3,2-b)xanthen-1-yl)-2-methyl-
(E)-4-[10,12-dihydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,11,15-tetraen-19-yl]-2-methylbut-2-enoic acid
4-(8,9-Dihydroxy-2,2,11-trimethyl-13-(3-methylbut-2-en-1-yl)-11-(4-methylpent-3-en-1-yl)-4,7-dioxo-1,2,5,7,10,11-hexahydro-9H-1,5-methanofuro[3,2-g]pyrano[3,2-b]xanthen-3a(4H)-yl)-2-methylbut-2-enoic acid
Neo-gambogic acid