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Substance Name: Calotroposide B
RN: 146714-00-3
InChIKey: NOUHJGOURCZSGH-UHFFFAOYSA-N

Note

  • Oxypregnane-oligoglycoside from the root of Calotropis gigantea.

Molecular Formula

  • C63-H96-O22

Molecular Weight

  • 1205.4294
 
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Names and Synonyms

Name of Substance

  • Calotroposide B

Synonym

  • 12-O-Benzoyldeacetylmetaplexigenin 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-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-8,14,17-trihydroxy-, (3beta,12beta,14beta,17alpha)-

Registry Numbers

CAS Registry Number

  • 146714-00-3

System Generated Number

  • 0146714003

Structure Descriptors

InChI

1S/C63H96O22/c1-32-53(65)41(70-9)26-49(75-32)82-55-34(3)77-51(28-43(55)72-11)84-57-36(5)79-52(30-45(57)74-13)85-56-35(4)78-50(29-44(56)73-12)83-54-33(2)76-48(27-42(54)71-10)80-40-20-21-59(7)39(25-40)19-22-62(68)46(59)31-47(81-58(66)38-17-15-14-16-18-38)60(8)61(67,37(6)64)23-24-63(60,62)69/h14-19,32-36,40-57,65,67-69H,20-31H2,1-13H3

InChIKey

NOUHJGOURCZSGH-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)O)C)OC(=O)c1ccccc1)C)C)C)C)C)OC)O