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Substance Name: Calotroposide A
RN: 146713-99-7
InChIKey: FURJPEDAWWWECD-UHFFFAOYSA-N

Note

  • Oxypregnane-oligoglycoside from the root of Calotropis gigantea.

Molecular Formula

  • C63-H96-O21

Molecular Weight

  • 1189.4304
 
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Names and Synonyms

Name of Substance

  • Calotroposide A

Synonym

  • 12-O-Benzoyllineolon 3-O-cymaropyranosyl-1-4-oleandropyranosyl-1-4-oleandropyranosyl-1-4-cymaropyranosyl-1-4-cymaropyranoside

Systematic Name

  • Pregn-5-en-20-one, 12-(benzoyloxy)-3-((O-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-3-O-methyl-beta-D-arabino-hexopyranosyl-(1-4)-O-2,6-dideoxy-3-O-methyl-beta-D-arabino-hexopyranosyl-(1-4)-O-2,6-dideoxy-3-O-methyl-beta-D-arabino-hxopyranosyl-(1-4)-O-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-8,14-dihydroxy-, (3beta,12beta,14beta,17alpha)-

Registry Numbers

CAS Registry Number

  • 146713-99-7

System Generated Number

  • 0146713997

Structure Descriptors

InChI

1S/C63H96O21/c1-32(64)41-21-24-63(68)61(41,8)48(80-59(66)38-17-15-14-16-18-38)31-47-60(7)22-20-40(25-39(60)19-23-62(47,63)67)79-49-27-43(70-10)55(34(3)75-49)82-51-29-45(72-12)57(36(5)77-51)84-53-30-46(73-13)58(37(6)78-53)83-52-28-44(71-11)56(35(4)76-52)81-50-26-42(69-9)54(65)33(2)74-50/h14-19,33-37,40-58,65,67-68H,20-31H2,1-13H3

InChIKey

FURJPEDAWWWECD-UHFFFAOYSA-N

Smiles

CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4OC)OC5C(OC(CC5OC)OC6CCC7(C8CC(C9(C(CCC9(C8(CC=C7C6)O)O)C(=O)C)C)OC(=O)c1ccccc1)C)C)C)C)C)OC)O