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Substance Name: Allofusicoccin
RN: 38179-95-2
UNII: LA46MX7W6X
InChIKey: BTYOEPYITUHUTF-UIDVEDAASA-N

Molecular Weight

  • 680.8264
 
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Names and Synonyms

Name of Substance

  • Allofusicoccin

Synonym

  • UNII-LA46MX7W6X

Systematic Name

  • alpha-D-Glucopyranoside, 3-(2-(acetyloxy)-1-methylethyl)-1,2,4,5,6,6a,7,8,9,10a-decahydro-1,5-dihydroxy-9-(methoxymethyl)-6,10a-dimethyldicyclopenta(a,d)cycloocten-4-yl 6-O-(1,1-dimethyl-2-propenyl)-, 2-acetate, (1S-(1alpha,3(R*),4alpha,5beta,6beta,6aalpha,9beta,10abeta))-

Registry Numbers

CAS Registry Number

  • 38179-95-2

FDA UNII

  • LA46MX7W6X

System Generated Number

  • 0038179952

Structure Descriptors

InChI

1S/C36H56O12/c1-10-35(6,7)45-17-27-29(40)30(41)32(46-21(5)38)34(47-27)48-31-26-13-24(18(2)15-44-20(4)37)33(42)36(26,8)14-25-22(16-43-9)11-12-23(25)19(3)28(31)39/h10,13-14,18-19,22-24,27-34,39-42H,1,11-12,15-17H2,2-9H3/b25-14-/t18-,19-,22-,23+,24+,27+,28-,29+,30-,31+,32+,33+,34-,36-/m1/s1

InChIKey

BTYOEPYITUHUTF-UIDVEDAASA-N

Smiles

COC[C@H]1CC[C@H]2[C@@H](C)[C@@H](O)[C@@H](O[C@H]3O[C@@H](COC(C)(C)C=C)[C@H](O)[C@@H](O)[C@@H]3OC(=O)C)C4=C[C@@H]([C@H](C)COC(=O)C)[C@H](O)[C@]4(C)\C=C\1/2