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Substance Name: Crisamicin A
RN: 95828-47-0
UNII: KJ7654W82V
InChIKey: IPAXVRZEFNMCLP-GJPLRXPFSA-N

Note

  • From Micromonospora purpureochromogenes.

Molecular Formula

  • C32-H22-O12

Molecular Weight

  • 598.5138
 
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Names and Synonyms

Name of Substance

  • Crisamicin A

Synonyms

  • CRS-A
  • UNII-KJ7654W82V

Systematic Name

  • (8,8'-Bi-2H-furo(3,2-b)naphtho(2,3-d)pyran)-2,2',6,6'11,11'-hexone, 3,3',3a,3'a,5,5',11b,11'b-octahydro-10,10'-dihydroxy-5,5'-dimethyl-, (3aS-(3aalpha,5alpha,8(3aR*,5R*,11bR*),11balpha))-

Registry Numbers

CAS Registry Number

  • 95828-47-0

FDA UNII

  • KJ7654W82V

System Generated Number

  • 0095828470

Structure Descriptors

InChI

1S/C32H22O12/c1-9-21-25(31-17(41-9)7-19(35)43-31)29(39)23-13(27(21)37)3-11(5-15(23)33)12-4-14-24(16(34)6-12)30(40)26-22(28(14)38)10(2)42-18-8-20(36)44-32(18)26/h3-6,9-10,17-18,31-34H,7-8H2,1-2H3/t9-,10-,17-,18-,31+,32+/m0/s1

InChIKey

IPAXVRZEFNMCLP-GJPLRXPFSA-N

Smiles

C[C@@H]1O[C@H]2CC(=O)O[C@H]2C3=C1C(=O)c4cc(cc(O)c4C3=O)c5cc(O)c6C(=O)C7=C([C@H](C)O[C@H]8CC(=O)O[C@@H]78)C(=O)c6c5