Concept information
اصطلاح مرجح
(2S,3S,4S,5R,6S) 6 [[(3S,6aR,6bS,8aS,12aS,14bR) 8a کربوکسی 4,4,6a,6b,11,11,14b هپت متیل 1,2,3,4a,5,6,7,8,124,1aa,5,6,7,8,14,9,1 tetradecahydropicen 3 yl]oxy] 3,5 dihydroxy 4 [(2S,3R,4S,5R,6R) 3,4,5 trihydroxy 6 (hydroxymethyl)oxan 2 yl]oxyoxane 2 carboxylic acid
نوع
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
مفهوم اعم
بار
- 0
فرمول
- C42H66O14
اینچی
- InChI=1S/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-30(48)31(29(47)32(56-35)33(49)50)55-34-28(46)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)/t21-,22+,23?,24?,25-,26-,27-,28+,29-,30+,31-,32-,34-,35-,39-,40+,41+,42-/m0/s1
اینچیکی
- BQPYEFAVIPEQIK-HXOKXTOWSA-N
جرم
- 794.976
جرم تکایزوتوپی
- 794.44526
اسمایلٓ
- O([C@@H]1C(C2[C@@](C3[C@]([C@]4(C([C@]5([C@@](CC4)(CCC(C5)(C)C)C(O)=O)[H])=CC3)C)(CC2)C)(CC1)C)(C)C)[C@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@@H]([C@H](O)[C@H](O)[C@H]7O)CO)[C@H]6O)C(O)=O
زیرمجموعه
- 2_STAR
مترادف دقیق
- (2S,3S,4S,5R,6S)-6-[[(3S,6aR,6bS,8aS,12aS,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:181880
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