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Substance Name: Sarasinoside B1
RN: 114066-50-1
InChIKey: RLZMJVGFNSVJOP-UHFFFAOYSA-N

Note

  • Isolated from Palauan marine sponge Asteropus sarasinosum.

Molecular Weight

  • 1259.43
 
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Names and Synonyms

Name of Substance

  • Sarasinoside B1

Synonym

  • Sarasinoside-B1

Systematic Name

  • Cholesta-8,24-dien-23-one, 3-((O-2- (acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1-4)-O-(O-beta-D-glucopyranosyl-(1-2)-O-beta-D-xylopyranosyl-(1-6)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-2))-beta-D-xylopyranosyl)oxy)-4,4-dimethyl-, (3beta,5alpha)-

Registry Numbers

CAS Registry Number

  • 114066-50-1

System Generated Number

  • 0114066501

Structure Descriptors

InChI

1S/C61H98N2O25/c1-25(2)18-29(68)19-26(3)31-11-12-32-30-10-13-39-59(6,7)40(15-17-61(39,9)33(30)14-16-60(31,32)8)86-58-53(47(74)38(24-81-58)85-54-41(62-27(4)66)48(75)44(71)35(20-64)82-54)87-55-42(63-28(5)67)49(76)46(73)37(84-55)23-80-57-52(43(70)34(69)22-79-57)88-56-51(78)50(77)45(72)36(21-65)83-56/h18,26,31-32,34-58,64-65,69-78H,10-17,19-24H2,1-9H3,(H,62,66)(H,63,67)

InChIKey

RLZMJVGFNSVJOP-UHFFFAOYSA-N

Smiles

O=C(C[C@@H](C)[C@@H]1CC[C@@H]2[C@@]1(C)CCC1=C2CC[C@@H]2[C@@]1(C)CC[C@@H](O[C@@H]1OC[C@@H]([C@@H]([C@@H]1O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1NC(C)=O)O)O)CO[C@@H]1OC[C@@H]([C@@H]([C@@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@@H]1O)CO)O)O)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1NC(C)=O)O)O)CO)C2(C)C)\C=C(\C)C