Physagulin D

CAS Registry Number®

146713-92-0
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CAS Name

Physagulin D

Molecular Formula

C34H52O10

Molecular Mass

620.77

Cite this Page

Physagulin D.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=146713-92-0 (retrieved 2024-06-26) (CAS RN: 146713-92-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H52O10/c1-16-11-25(43-31(41)21(16)14-35)17(2)22-7-8-23-20-6-5-18-12-19(42-32-30(40)29(39)28(38)26(15-36)44-32)13-27(37)34(18,4)24(20)9-10-33(22,23)3/h5,17,19-20,22-30,32,35-40H,6-15H2,1-4H3/t17-,19+,20-,22+,23-,24-,25+,26+,27-,28+,29-,30+,32+,33+,34-/m0/s1

InChIKey

InChIKey=KRHHFPJGGBLAAH-MYBCZMNMSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(=CC3)C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C[C@@H]4O)(CC1)[H])[H])(CC[C@@]2([C@H](C)[C@]6(CC(C)=C(CO)C(=O)O6)[H])[H])[H]

Canonical SMILES

O=C1OC(CC(=C1CO)C)C(C)C2CCC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6O)CC(O)C5(C)C4CCC23C

Other Names for this Substance

  • Ergosta-5,24-dien-26-oic acid, 3-(β-D-glucopyranosyloxy)-1,22,27-trihydroxy-, δ-lactone, (1α,3β,22R)-
  • Physagulin D

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