Batrachotoxinin A

CAS Registry Number®

19457-37-5

CAS Name

Batrachotoxinin A

Molecular Formula

C24H35NO5

Molecular Mass

417.54

Cite this Page

Batrachotoxinin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=19457-37-5 (retrieved 2024-11-22) (CAS RN: 19457-37-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H35NO5/c1-15(26)17-6-7-23-18-5-4-16-12-22(28)9-8-20(16,2)24(18,30-22)19(27)13-21(17,23)14-25(3)10-11-29-23/h5-6,15-16,19,26-28H,4,7-14H2,1-3H3/t15-,16+,19+,20-,21-,22+,23-,24-/m0/s1

InChIKey

InChIKey=ZKCSFQZJDZSMCH-IGLVISNFSA-N

SMILES

C[C@@]12[C@]34C([C@]56[C@](C[C@H]3O)(C([C@H](C)O)=CC5)CN(C)CCO6)=CC[C@@]1(C[C@](O)(O4)CC2)[H]

Canonical SMILES

OC(C1=CCC23OCCN(C)CC13CC(O)C45OC6(O)CCC5(C)C(CC=C24)C6)C

Other Names for this Substance

  • 7H-9,11b-Epoxy-13a,5a-propenophenanthro[2,1-f][1,4]oxazepine-9,12(8H)-diol, 1,2,3,4,7a,10,11,11a,12,13-decahydro-14-[(1S)-1-hydroxyethyl]-2,11a-dimethyl-, (5aR,7aR,9R,11aS,11bS,12R,13aR)-
  • Batrachotoxinin A
  • Batrachotoxin A
  • (5aR,7aR,9R,11aS,11bS,12R,13aR)-1,2,3,4,7a,10,11,11a,12,13-Decahydro-14-[(1S)-1-hydroxyethyl]-2,11a-dimethyl-7H-9,11b-epoxy-13a,5a-propenophenanthro[2,1-f][1,4]oxazepine-9,12(8H)-diol
  • 7H-9,11b-Epoxy-13a,5a-propenophenanthro[2,1-f][1,4]oxazepine-9,12(8H)-diol, 1,2,3,4,7a,10,11,11a,12,13-decahydro-14-(1-hydroxyethyl)-2,11a-dimethyl-, [5aR-[5aα,7aβ,9α,11aβ,11bα,12α,13aα,14(S*)]]-

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration