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Substance Name: Ophiopogonin D
RN: 41753-55-3
InChIKey: HCPWJYIKDZWRLK-OFTVQJMASA-N

Molecular Formula

  • C44-H70-O16

Molecular Weight

  • 855.021
 
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Names and Synonyms

Name of Substance

  • Ophiopogonin D

Systematic Name

  • beta-D-Galactopyranoside, (1beta,3beta,25R)-3-hydroxyspirost-5-en-1-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-6-deoxy-

Registry Numbers

CAS Registry Number

  • 41753-55-3

System Generated Number

  • 0041753553

Structure Descriptors

InChI

1S/C44H70O16/c1-18-9-12-43(55-16-18)19(2)30-28(59-43)15-26-24-8-7-22-13-23(45)14-29(42(22,6)25(24)10-11-41(26,30)5)44(60-39-36(52)33(49)27(46)17-54-39)38(35(51)32(48)21(4)58-44)57-40-37(53)34(50)31(47)20(3)56-40/h7,18-21,23-40,45-53H,8-17H2,1-6H3/t18-,19+,20+,21-,23?,24?,25?,26?,27-,28+,29?,30+,31+,32+,33+,34-,35-,36-,37-,38-,39+,40+,41+,42+,43?,44+/m1/s1

InChIKey

HCPWJYIKDZWRLK-OFTVQJMASA-N

Smiles

C[C@@H]1CCC2([C@H]([C@H]3[C@@H](O2)CC4[C@@]3(CCC5C4CC=C6[C@@]5(C(CC(C6)O)[C@@]7([C@@H]([C@@H]([C@H]([C@H](O7)C)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)C)C)C)OC1