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Substance Name: Officigenin
RN: 96253-65-5
InChIKey: JXAWRVUDELTQIY-UHFFFAOYSA-N

Molecular Weight

  • 957.3778
 
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Names and Synonyms

  • Officigenin

Registry Numbers

CAS Registry Number

  • 96253-65-5

System Generated Number

  • 0096253655

Structure Descriptors

InChI

1S/C60H92O9/c1-49(2)30-36(62)31-53(6)41(49)16-20-58(11)44(53)15-13-37-39-32-50(3,22-26-59(39,46(64)65)28-24-55(37,58)8)35-69-48(68)51(4)23-27-60(47(66)67)29-25-56(9)38(40(60)33-51)12-14-43-52(5)19-18-45(63)54(7,34-61)42(52)17-21-57(43,56)10/h12-13,36,39-45,61-63H,14-35H2,1-11H3,(H,64,65)(H,66,67)

InChIKey

JXAWRVUDELTQIY-UHFFFAOYSA-N

Smiles

C1[C@@]2([C@@H]3[C@@](CC[C@@H]2[C@@](C)(CO)[C@@H](C1)O)([C@@]1(CC[C@@]2([C@@H](C1=CC3)C[C@@](CC2)(C)C(OC[C@@]1(CC[C@@]2(CC[C@@]3([C@@]4(CC[C@@H]5C(C[C@@H](C[C@@]5([C@@H]4CC=C3[C@@H]2C1)C)O)(C)C)C)C)C(O)=O)C)=O)C(O)=O)C)C)C