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Substance Name: Spirostan-12-one, 3-((6-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy)-, (3beta,5alpha,25R)-
RN: 80938-28-9
InChIKey: YLQVZRWEQWTANG-VCOJIZEOSA-N

Molecular Weight

  • 754.905
 
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Names and Synonyms

  • Spirostan-12-one, 3-((6-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy)-, (3beta,5alpha,25R)-

Registry Numbers

CAS Registry Number

  • 80938-28-9

System Generated Number

  • 0080938289

Structure Descriptors

InChI

1S/C39H62O14/c1-17-7-10-39(49-15-17)18(2)28-24(53-39)12-23-21-6-5-19-11-20(8-9-37(19,3)22(21)13-27(41)38(23,28)4)50-36-34(47)32(45)30(43)26(52-36)16-48-35-33(46)31(44)29(42)25(14-40)51-35/h17-26,28-36,40,42-47H,5-16H2,1-4H3/t17-,18+,19+,20+,21-,22+,23+,24+,25-,26-,28+,29-,30-,31+,32+,33-,34-,35+,36+,37+,38-,39?/m1/s1

InChIKey

YLQVZRWEQWTANG-VCOJIZEOSA-N

Smiles

C1[C@@H](C[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]6([C@H]([C@H]5[C@@]4(C)C(C[C@H]3[C@@]2(C1)C)=O)C)OC[C@@H](CC6)C)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO