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Substance Name: Hemibrevetoxin B
RN: 122271-91-4
InChIKey: HINDCSLBLBWIIV-HWFPZXRZSA-N

Molecular Formula

  • C28-H42-O7

Molecular Weight

  • 490.633
 
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Names and Synonyms

Name of Substance

  • Hemibrevetoxin B

Systematic Names

  • Oxepino(3,2-b)pyrano(2',3':5,6)pyrano(2,3-f)oxepin-2-propanal, 9-((3Z)-3,5-hexadienyl)hexadecahydro-4,10-dihydroxy-5a,10-dimethyl-alpha-methylene-, (2R,4S,4aS,5aR,7aS,9R,10S,12aR,13aS,14aR)-
  • Oxepino(3,2-b)pyrano(2',3':5,6)pyrano(2,3-f)oxepin-2-propanal, 9-(3,5-hexadienyl)hexadecahydro-4,10-dihydroxy-5a,10-dimethyl-alpha- methylene-, (2R-(2alpha,4alpha,4abeta,5abeta,7abeta,9alpha(Z),10beta,12aalpha,13aalpha,14aalpha))-

Registry Numbers

CAS Registry Number

  • 122271-91-4

System Generated Number

  • 0122271914

Structure Descriptors

InChI

1S/C28H42O7/c1-5-6-7-8-9-24-27(3,31)12-10-21-22(33-24)11-13-28(4)25(34-21)16-23-26(35-28)20(30)15-19(32-23)14-18(2)17-29/h5-7,17,19-26,30-31H,1-2,8-16H2,3-4H3/b7-6-/t19-,20+,21-,22+,23-,24-,25+,26+,27+,28-/m1/s1

InChIKey

HINDCSLBLBWIIV-HWFPZXRZSA-N

Smiles

O1[C@H]2[C@H](CC[C@@]3([C@@H]1C[C@@H]1[C@@H](O3)[C@H](C[C@H](O1)CC(C=O)=C)O)C)O[C@@H]([C@@](CC2)(C)O)CC\C=C/C=C