Yuanhuadin

CAS Registry Number®

76402-66-9

CAS Name

Yuanhuadin

Molecular Formula

C32H42O10

Molecular Mass

586.67

Cite this Page

Yuanhuadin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=76402-66-9 (retrieved 2024-11-21) (CAS RN: 76402-66-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H42O10/c1-7-8-9-10-11-12-13-14-29-40-26-22-25-28(16-33,39-25)27(36)30(37)21(15-18(4)23(30)35)32(22,42-29)19(5)24(38-20(6)34)31(26,41-29)17(2)3/h11-15,19,21-22,24-27,33,36-37H,2,7-10,16H2,1,3-6H3/b12-11+,14-13+/t19-,21-,22+,24-,25+,26-,27-,28+,29-,30-,31+,32+/m1/s1

InChIKey

InChIKey=NHELFTYSELEEFD-SVAWBNMMSA-N

SMILES

C[C@H]1[C@]23[C@]([C@@]4([C@](C(C)=C)([C@@H]1OC(C)=O)O[C@](/C=C/C=C/CCCCC)(O2)O4)[H])([C@]5([C@](CO)(O5)[C@@H](O)[C@@]6(O)[C@]3(C=C(C)C6=O)[H])[H])[H]

Canonical SMILES

O=C(OC1C(C)C23OC4(OC(C3C5OC5(CO)C(O)C6(O)C(=O)C(=CC62)C)C1(O4)C(=C)C)C=CC=CCCCCC)C

Other Names for this Substance

  • 6H-2,8b-Epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one, 10-(acetyloxy)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-2-(1E,3E)-1,3-nonadien-1-yl-, (2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10R,10aS)-
  • Simplexin, 12-(acetyloxy)-22,23,24,25-tetradehydro-, (12β,22E,24E)-
  • (2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10R,10aS)-10-(Acetyloxy)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-2-(1E,3E)-1,3-nonadien-1-yl-6H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one
  • Yuanhuadin
  • 6H-2,8b-Epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one, 10-(acetyloxy)-3b,3c,4a,5,5a,8a,8b,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-2-(1,3-nonadienyl)-, [2S-[2α,2(1E,3E),3aβ,3bβ,3cβ,4aβ,5β,5aβ,8aα,8bβ,9α,10β,10aβ]]-

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Deleted or Replaced CAS Registry Numbers

117020-64-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration