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Substance Name: Acanthifolicin
RN: 77739-71-0
InChIKey: PBZVIYIWLYRXNM-ZGRMKTROSA-N

Molecular Formula

  • C44-H68-O13-S

Molecular Weight

  • 837.074
 
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Names and Synonyms

Name of Substance

  • Acanthifolicin

Synonym

  • Acanthifolic acid

Systematic Name

  • Acanthifolicin

Registry Numbers

CAS Registry Number

  • 77739-71-0

System Generated Number

  • 0077739710

Structure Descriptors

InChI

1S/C44H68O13S/c1-24(32-23-41(6)38(58-41)44(55-32)33(46)12-11-29(54-44)22-40(5,50)39(48)49)9-10-28-14-18-43(53-28)19-15-31-37(57-43)34(47)27(4)36(52-31)30(45)21-26(3)35-25(2)13-17-42(56-35)16-7-8-20-51-42/h9-10,24-26,28-38,45-47,50H,4,7-8,11-23H2,1-3,5-6H3,(H,48,49)/b10-9+/t24-,25-,26+,28+,29+,30?,31-,32+,33-,34-,35+,36+,37-,38-,40-,41-,42+,43-,44+/m1/s1

InChIKey

PBZVIYIWLYRXNM-ZGRMKTROSA-N

Smiles

O1[C@@H](C[C@@]2([C@H](S2)[C@@]21O[C@H](C[C@](C(O)=O)(O)C)CC[C@H]2O)C)[C@@H](\C=C\[C@@H]1O[C@@]2(CC1)CC[C@@H]1[C@@H](O2)[C@@H](C([C@H]([C@@H](C[C@@H]([C@H]2O[C@]3(OCCCC3)CC[C@H]2C)C)O)O1)=C)O)C