Ophiopogonin B

CAS Registry Number®

38971-41-4
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CAS Name

Ophiopogonin B

Molecular Formula

C39H62O12

Molecular Mass

722.90

Cite this Page

Ophiopogonin B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=38971-41-4 (retrieved 2024-05-18) (CAS RN: 38971-41-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H62O12/c1-17-9-12-39(46-16-17)18(2)28-26(51-39)15-25-23-8-7-21-13-22(40)14-27(38(21,6)24(23)10-11-37(25,28)5)49-36-34(32(44)30(42)20(4)48-36)50-35-33(45)31(43)29(41)19(3)47-35/h7,17-20,22-36,40-45H,8-16H2,1-6H3/t17-,18+,19+,20-,22-,23-,24+,25+,26+,27-,28+,29+,30+,31-,32+,33-,34-,35+,36+,37+,38+,39-/m1/s1

InChIKey

InChIKey=OWGURJWJHWYCIQ-AKYREZHBSA-N

SMILES

C[C@@]12[C@@]3([C@](C[C@]1([C@]4([C@](CC2)([C@@]5(C)[C@H](O[C@H]6[C@H](O[C@H]7[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O7)[C@@H](O)[C@@H](O)[C@@H](C)O6)C[C@H](O)CC5=CC4)[H])[H])[H])(O[C@@]8([C@H]3C)CC[C@@H](C)CO8)[H])[H]

Canonical SMILES

OC1CC2=CCC3C(CCC4(C)C3CC5OC6(OCC(C)CC6)C(C)C54)C2(C)C(OC7OC(C)C(O)C(O)C7OC8OC(C)C(O)C(O)C8O)C1

Other Names for this Substance

  • β-D-Galactopyranoside, (1β,3β,25R)-3-hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-
  • (1β,3β,25R)-3-Hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-galactopyranoside
  • Ophiopogonin B
  • Prosapogenin D3
  • (-)-Ophiopogonin B

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Deleted or Replaced CAS Registry Numbers

11054-27-6, 1868133-33-8

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