(2S,3R,4S,4aR,6aR,8aS,12aS,13S,14aR,14bR)-13-(Chloromethyl)-2,3-dihydroxy-4,6a,11,11,14b-pentamethyl-2,3,4,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a,14b-octadecahydro-4,8a(1H)-picenedicarboxylic acid（CAS番号：2469-34-3）

(2S,3R,4S,4aR,6aR,8aS,12aS,13S,14aR,14bR)-13-(Chloromethyl)-2,3-dihydroxy-4,6a,11,11,14b-pentamethyl-2,3,4,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a,14b-octadecahydro-4,8a(1H)-picenedicarboxylic acid

基本情報

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CAS番号

2469-34-3

分子式

C30H45ClO6

分子量

537.14 g/mol

化学分類

基礎化学原料有機化学品カルボン酸類

精密化学品界面活性剤アニオン性界面活性剤

重合体およびプラスチック熱可塑性プラスチックポリオレフィン

基本的な物理特性

物理状態

Powder

融点

290-292 ºC

沸点

674.1±55.0 °C at 760 mmHg

引火点

361.5±31.5 °C

溶解度

DMSO: soluble10mg/mL, clear

屈折率

1.591

蒸気圧

0.0±4.7 mmHg at 25°C

比旋光度

D +19° (c = 0.70 in ethanol)

SMILES

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CC1(CCC2(CCC3=C(C2C1)C(CC4C3(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)CCl)C(=O)O)C

InChI

InChI=1S/C30H45ClO6/c1-26(2)10-11-30(25(36)37)9-6-17-22(18(30)13-26)16(15-31)12-21-27(17,3)8-7-20-28(21,4)14-19(32)23(33)29(20,5)24(34)35/h16,18-21,23,32-33H,6-15H2,1-5H3,(H,34,35)(H,36,37)/t16-,18+,19+,20-,21+,23+,27+,28+,29+,30-/m1/s1

InChIKey

CWHJIJJSDGEHNS-MYLFLSLOSA-N

LogP

5.488000000000005

トポロジカル極性表面積

115.06 Å²

水素結合ドナー/アクセプター

4 / 6

複雑度

1040

安全情報

安全情報を表示

危険性の表示

保管条件

2-8℃

同義語と引用データ

英語

Q-100320
27-Noro-13-ene-23,28-dioic acid, 12-(chloromethyl)-2-beta,3-beta-dihydroxy-
BRN 2714357
CHEBI:183955
(2S,3R,4S,4aR,6aR,8aR,12aS,13S,14aR,14bR)-13-(chloromethyl)-2,3-dihydroxy-4,6a,11,11,14b-pentamethyl-2,3,4,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a,14b-octadecahydropicene-4,8a(1H)-dicarboxylic acid
S9095
12-(Chloromethyl)-2b,3b-dihydroxy-27
Q27236217
12-(CHLOROMETHYL)-2.BETA.,3.BETA.-DIHYDROXY-27-NOROLEAN-13-ENE-23,28-DIOIC ACID
Senegenin
27-Norolean-13-ene-23,28-dioic acid, 12-(chloromethyl)-2,3-dihydroxy-, (2.beta.,3.beta.,4.alpha.,12.alpha.)-
CS-0009808
MFCD00466906
SENEGENIN [MI]
AKOS037514836
Tenuigenin
Senegin
CCG-269946
Senegenin, >=98% (HPLC)
(2S,3R,4S,4AR,6AR,8AS,12AS,13S,14AR,14BR)-13-(CHLOROMETHYL)-2,3-DIHYDROXY-4,6A,11,11,14B-PENTAMETHYL-2,3,4A,5,6,7,8,9,10,12,12A,13,14,14A-TETRADECAHYDRO-1H-PICENE-4,8A-DICARBOXYLIC ACID
AC-34916
DTXSID90947632
06S1QH951L
SCHEMBL4031105
HY-N0802
27-Norolean-13-ene-23,28-dioic acid, 12-(chloromethyl)-2,3-dihydroxy-, (2beta,3beta,4alpha,12alpha)-
2469-34-3
UNII-06S1QH951L
Tenuifolic acid
3-10-00-02482 (Beilstein Handbook Reference)
SENEGENIN