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Substance Name: Guaiacin B
RN: 101021-02-7
InChIKey: LCMURMAVBYASPU-REEYWUBFSA-N

Molecular Weight

  • 913.1
 
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Names and Synonyms

  • Guaiacin B

Registry Numbers

CAS Registry Number

  • 101021-02-7

System Generated Number

  • 0101021027

Structure Descriptors

InChI

1S/C47H76O17/c1-42(2)14-16-47(41(58)64-40-35(56)33(54)31(52)26(20-49)61-40)17-15-45(6)22(23(47)18-42)8-9-28-44(5)12-11-29(43(3,4)27(44)10-13-46(28,45)7)62-38-36(57)37(24(50)21-59-38)63-39-34(55)32(53)30(51)25(19-48)60-39/h8,23-40,48-57H,9-21H2,1-7H3/t23-,24+,25-,26-,27?,28-,29+,30-,31-,32+,33+,34-,35-,36-,37+,38+,39-,40+,44+,45-,46-,47+/m1/s1

InChIKey

LCMURMAVBYASPU-REEYWUBFSA-N

Smiles

C1[C@@H](C(C)(C)[C@@H]2CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@H](O6)CO)CCC(C)(C)C[C@H]5C4=CC[C@H]3[C@@]2(C1)C)O[C@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO)[C@@H](O)CO1