Erinacin C

CAS Registry Number®

156101-09-6
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CAS Name

Erinacin C

Molecular Formula

C25H38O6

Molecular Mass

434.57

Cite this Page

Erinacin C.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=156101-09-6 (retrieved 2024-05-19) (CAS RN: 156101-09-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H38O6/c1-13(2)15-7-8-24(3)9-10-25(4)16(18(15)24)6-5-14(11-26)20-22(25)31-23-21(30-20)19(28)17(27)12-29-23/h5,13,16-17,19-23,26-28H,6-12H2,1-4H3/t16-,17-,19+,20-,21-,22+,23+,24-,25-/m1/s1

InChIKey

InChIKey=DMPGFSQMXITJPT-ZCKYJUNOSA-N

SMILES

C[C@]12C([C@@]3([C@](C)([C@@]4([C@@](C(CO)=CC3)(O[C@]5([C@](O4)(OC[C@@H](O)[C@@H]5O)[H])[H])[H])[H])CC1)[H])=C(C(C)C)CC2

Canonical SMILES

OCC1=CCC2C3=C(CCC3(C)CCC2(C)C4OC5OCC(O)C(O)C5OC14)C(C)C

Other Names for this Substance

  • β-D-Xylopyranose, 1,2-O-[(3aR,5aR,6R,7R,10aR)-2,3,3a,4,5,5a,6,7,10,10a-decahydro-8-(hydroxymethyl)-3a,5a-dimethyl-1-(1-methylethyl)cyclohept[e]indene-6,7-diyl]-
  • β-D-Xylopyranose, 1,2-O-[2,3,3a,4,5,5a,6,7,10,10a-decahydro-8-(hydroxymethyl)-3a,5a-dimethyl-1-(1-methylethyl)cyclohept[e]indene-6,7-diyl]-, [3aR-(3aα,5aβ,6α,7β,10aα)]-
  • Cyclohept[e]indene, β-D-xylopyranose deriv.
  • 8H-Indeno[5′,4′:3,4]cyclohepta[1,2-b]pyrano[2,3-e][1,4]dioxin, β-D-xylopyranose deriv.
  • 1,2-O-[(3aR,5aR,6R,7R,10aR)-2,3,3a,4,5,5a,6,7,10,10a-Decahydro-8-(hydroxymethyl)-3a,5a-dimethyl-1-(1-methylethyl)cyclohept[e]indene-6,7-diyl]-β-D-xylopyranose

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