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Substance Name: Officinalisnin I
RN: 57944-18-0
InChIKey: SORUXVRKWOHYEO-VZVPSRPGSA-N

Molecular Formula

  • C45-H76-O19

Molecular Weight

  • 921.076
 
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Names and Synonyms

  • Officinalisnin I

Registry Numbers

CAS Registry Number

  • 57944-18-0

System Generated Number

  • 0057944180

Structure Descriptors

InChI

1S/C45H76O19/c1-19(18-58-40-37(55)34(52)31(49)27(15-46)60-40)7-12-45(57)20(2)30-26(64-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)59-42-39(36(54)33(51)29(17-48)62-42)63-41-38(56)35(53)32(50)28(16-47)61-41/h19-42,46-57H,5-18H2,1-4H3/t19?,20-,21?,22?,23?,24?,25?,26-,27+,28+,29+,30-,31+,32+,33+,34-,35-,36-,37+,38+,39+,40+,41-,42+,43-,44-,45+/m0/s1

InChIKey

SORUXVRKWOHYEO-VZVPSRPGSA-N

Smiles

O([C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO)[C@@H](O)[C@H](O)[C@H](O1)CO)[C@@H]1CC[C@@]2([C@@H]3CC[C@@]4([C@@H]5[C@H](C[C@@H]4[C@@H]3CC[C@@H]2C1)O[C@@]([C@H]5C)(CC[C@@H](CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)C)O)C)C