Chem
J-GLOBAL ID：201507014630186518   Nikkaji number：J3.372.977D

(3R,4S,6R,7S,9R,10S,13R,14S,16R,17S,19R,20R,21S,24R,25S,27R,28S,30R,31S,34R,35S,37R,38R,39S,40R,41S)-1,4-(Isopropylidenebisoxy)-6,10,13,16,21,28,31,35,38,41-decamethyl-19,39-bis(benzyloxy)-3,7:6,10:9,14:13,17:16,20:21,25:24,28:27,31:30,35:34,38:37,41-undecaepoxytetratetracontane-43-ene-40-ol

(3R,4S,6R,7S,9R,10S,13R,14S,16R,17S,19R,20R,21S,24R,25S,27R,28S,30R,31S,34R,35S,37R,38R,39S,40R,41S)-1,4-(イソプロピリデンビスオキシ)-6,10,13,16,21,28,31,35,38,41-デカメチル-19,39-ビス(ベンジルオキシ)-3,7:6,10:9,14:13,17:16,20:21,25:24,28:27,31:30,35:34,38:37,41-ウンデカエポキシテトラテトラコンタン-43-エン-40-オール
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： C71H102O16
Molecular formula furigana： C71-H102-O16
Molecular weight： 1211.581
InChI： InChI=1S/C71H102O16/c1-14-28-65(7)58(72)60(74-42-44-23-19-16-20-24-44)71(13)57(84-65)40-67(9)50(85-71)26-30-62(4)56(83-67)39-68(10)53(81-62)34-47-46(79-68)25-29-66(8,80-47)59-48(73-41-43-21-17-15-18-22-43)35-54-69(11,86-59)38-55-63(5,82-54)31-32-64(6)51(77-55)36-52-70(12,87-64)37-49-45(76-52)27-33-75-61(2,3)78-49/h14-24,45-60,72H,1,25-42H2,2-13H3/t45-,46-,47+,48-,49+,50-,51-,52+,53-,54+,55+,56-,57-,58-,59-,60+,62+,63-,64+,65+,66+,67+,68+,69-,70-,71-/m1/s1
InChI key： ZRTYPCGTNNBQNJ-OWSDPWEISA-N
SMILES： C[C@@]1(CC=C)O[C@@H]2C[C@]3(C)O[C@@H]4C[C@]5(C)O[C@@H]6CC[C@](C)(O[C@H]6C[C@H]5O[C@@]4(C)CC[C@H]3O[C@@]2(C)[C@@H](OCc2ccccc2)[C@H]1O)[C@@H]1O[C@]2(C)C[C@@H]3O[C@@H]4C[C@@H]5O[C@@H]6CCOC(C)(C)O[C@H]6C[C@@]5(C)O[C@@]4(C)CC[C@@]3(C)O[C@H]2C[C@H]1OCc1ccccc1
Systematic name  (3)：
  • (3R,4S,6R,7S,9R,10S,13R,14S,16R,17S,19R,20R,21S,24R,25S,27R,28S,30R,31S,34R,35S,37R,38R,39S,40R,41S)-1,4-(イソプロピリデンビスオキシ)-6,10,13,16,21,28,31,35,38,41-デカメチル-19,39-ビス(ベンジルオキシ)-3,7:6,10:9,14:13,17:16,20:21,25:24,28:27,31:30,35:34,38:37,41-ウンデカエポキシテトラテトラコンタン-43-エン-40-オール
  • (1R,3S,5R,7S,8R,9S,10R,12R,15S,17R,19S,21S,24R,26S)-9-(ベンジルオキシ)-21-[(1R,3S,5R,7R,8R,10S,12R,15S,17R,19S,25R,27S)-8-(ベンジルオキシ)-5,12,15,17,21,21-ヘキサメチル-2,6,11,16,20,22,26-ヘプタオキサヘキサシクロ[13.13.0.03,12.05,10.017,27.019,25]オクタコサン-7-イル]-3,7,10,15,21,26-ヘキサメチル-7-(プロパ-2-エン-1-イル)-2,6,11,16,20,25-ヘキサオキサヘキサシクロ[13.12.0.03,12.05,10.017,26.019,24]ヘプタコサン-8-オール
  • (1R,3S,5R,7S,8R,9S,10R,12R,15S,17R,19S,21S,24R,26S)-9-(benzyloxy)-21-[(1R,3S,5R,7R,8R,10S,12R,15S,17R,19S,25R,27S)-8-(benzyloxy)-5,12,15,17,21,21-hexamethyl-2,6,11,16,20,22,26-heptaoxahexacyclo[13.13.0.03,12.05,10.017,27.019,25]octacosan-7-yl]-3,7,10,15,21,26-hexamethyl-7-(prop-2-en-1-yl)-2,6,11,16,20,25-hexaoxahexacyclo[13.12.0.03,12.05,10.017,26.019,24]heptacosan-8-ol
Other name (1)：
  • (3R,4S,6R,7S,9R,10S,13R,14S,16R,17S,19R,20R,21S,24R,25S,27R,28S,30R,31S,34R,35S,37R,38R,39S,40R,41S)-1,4-(Isopropylidenebisoxy)-6,10,13,16,21,28,31,35,38,41-decamethyl-19,39-bis(benzyloxy)-3,7:6,10:9,14:13,17:16,20:21,25:24,28:27,31:30,35:34,38:37,41-undecaepoxytetratetracontane-43-ene-40-ol
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