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Substance Name: Exogenium purga resin
RN: 9000-35-5
UNII: E1C012DG4R
InChIKey: FQYZTZXSIFWAPT-LSNGAHAASA-N

Molecular Weight

  • 2795.3648
 
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Names and Synonyms

Name of Substance

  • Exogenium purga resin
  • Jalap resin
  • Resin jalap

Synonyms

  • EINECS 232-538-9
  • UNII-E1C012DG4R

Systematic Name

  • Jalap resin

Registry Numbers

CAS Registry Number

  • 9000-35-5

FDA UNII

  • E1C012DG4R

System Generated Number

  • 0009000355

Structure Descriptors

InChI

InChI=1S/C144H232O52/c1-17-23-27-29-31-33-39-45-61-73-99(149)185-131-129(195-136-111(161)106(156)105(155)95(79-145)179-136)121(191-138-116(166)124(120(88(14)172-138)188-134(168)82(8)22-6)182-101(151)77-75-91-63-53-49-54-64-91)89(15)175-143(131)189-117-85(11)171-135(112(162)109(117)159)193-125-107(157)103(153)83(9)169-139(125)177-93(67-51-25-19-3)69-57-43-37-35-41-47-59-71-97(147)181-123-96(80-146)180-137(113(163)110(123)160)196-130-122(192-141-127(184-102(152)78-76-92-65-55-50-56-66-92)114(164)118(86(12)173-141)187-133(167)81(7)21-5)90(16)176-144(132(130)186-100(150)74-62-46-40-34-32-30-28-24-18-2)190-119-87(13)174-142-128(115(119)165)183-98(148)72-60-48-42-36-38-44-58-70-94(68-52-26-20-4)178-140-126(194-142)108(158)104(154)84(10)170-140/h49-50,53-56,63-66,75-78,81-90,93-96,103-132,135-146,153-166H,17-48,51-52,57-62,67-74,79-80H2,1-16H3/b77-75+,78-76+/t81-,82-,83+,84+,85+,86+,87+,88+,89+,90+,93-,94?,95+,96+,103-,104-,105-,106-,107+,108+,109-,110+,111-,112+,113-,114+,115+,116+,117-,118-,119-,120-,121+,122+,123-,124-,125+,126+,127+,128+,129+,130+,131+,132+,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-/m0/s1

InChIKey

FQYZTZXSIFWAPT-LSNGAHAASA-N

Smiles

CCCCCCCCCCCC(=O)O[C@H]1[C@H](O[C@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](C)O[C@H]3O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@@H]4[C@H](O)[C@H](O)[C@H](O[C@@H]5[C@H](O[C@@H]6O[C@H](C)[C@H](OC(=O)[C@@H](C)CC)[C@@H](O)[C@H]6OC(=O)\C=C\c7ccccc7)[C@@H](C)O[C@@H](O[C@H]8[C@@H](C)O[C@H]9O[C@@H]%10[C@H](O)[C@@H](O)[C@@H](C)O[C@H]%10OC(CCCCC)CCCCCCCCCC(=O)O[C@@H]9[C@@H]8O)[C@@H]5OC(=O)CCCCCCCCCCC)O[C@@H]4CO)[C@H](O)[C@@H]2O)O[C@H](C)[C@@H](O[C@@H]%11O[C@H](C)[C@H](OC(=O)[C@@H](C)CC)[C@@H](OC(=O)\C=C\c%12ccccc%12)[C@H]%11O)[C@H]1O[C@@H]%13O[C@H](CO)[C@H](O)[C@H](O)[C@@H]%13O