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
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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
C25H36O9Molecular Mass
480.55Cite 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 ) (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
