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Substance Name: Gentiodelphin
RN: 84331-34-0
InChIKey: UQMSNFAFNLWTHR-HCPIIDCVSA-N

Molecular Weight

  • 1149.4
 
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Names and Synonyms

  • Gentiodelphin

Registry Numbers

CAS Registry Number

  • 84331-34-0

System Generated Number

  • 0084331340

Structure Descriptors

InChI

1S/C51H52O28.ClH/c52-16-33-39(62)42(65)45(68)51(77-33)76-32-15-23-29(13-22(53)14-30(23)74-49-46(69)43(66)40(63)34(78-49)17-71-36(59)7-3-19-1-5-24(54)26(56)9-19)73-48(32)21-11-28(58)38(61)31(12-21)75-50-47(70)44(67)41(64)35(79-50)18-72-37(60)8-4-20-2-6-25(55)27(57)10-20;/h1-15,33-35,39-47,49-52,62-70H,16-18H2,(H6-,53,54,55,56,57,58,59,60,61);1H/t33-,34-,35-,39-,40-,41-,42+,43+,44+,45-,46-,47-,49-,50-,51-;/m1./s1

InChIKey

UQMSNFAFNLWTHR-HCPIIDCVSA-N

Smiles

[o+]1c(c(cc2c1cc(cc2O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)COC(\C=C\c1cc(c(cc1)O)O)=O)O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)c1cc(c(c(c1)O)O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)COC(\C=C\c1cc(c(cc1)O)O)=O.[ClH-]