Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 15-acetate 8-(3-methylbutanoate) 4-propanoate, (3α,4α,8α)-

CAS Registry Number®

104903-80-2

CAS Name

Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 15-acetate 8-(3-methylbutanoate) 4-propanoate, (3α,4α,8α)-

Molecular Formula

C25H36O9

Molecular Mass

480.55

Cite this Page

Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 15-acetate 8-(3-methylbutanoate) 4-propanoate, (3α,4α,8α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=104903-80-2 (retrieved 2024-11-22) (CAS RN: 104903-80-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H36O9/c1-7-18(27)34-21-20(29)22-25(12-31-25)23(21,6)24(11-30-15(5)26)10-16(14(4)9-17(24)33-22)32-19(28)8-13(2)3/h9,13,16-17,20-22,29H,7-8,10-12H2,1-6H3/t16-,17+,20+,21+,22+,23+,24+,25-/m0/s1

InChIKey

InChIKey=HHSVPRXLNYVHLR-GTTPHZHMSA-N

SMILES

C[C@@]12[C@@]3([C@@]([C@H](O)[C@H]1OC(CC)=O)(O[C@]4([C@]2(COC(C)=O)C[C@H](OC(CC(C)C)=O)C(C)=C4)[H])[H])CO3

Canonical SMILES

O=C(OCC12CC(OC(=O)CC(C)C)C(=CC2OC3C(O)C(OC(=O)CC)C1(C)C43OC4)C)C

Other Names for this Substance

  • Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 15-acetate 8-(3-methylbutanoate) 4-propanoate, (3α,4α,8α)-
  • Spiro[2,5-methano-1-benzoxepin-10,2′-oxirane], trichothec-9-ene-3,4,8,15-tetrol deriv.

Deleted or Replaced CAS Registry Numbers

116163-77-0

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