| SpectraBase Spectrum ID |
B4WtKxLAkHA |
| Name |
Homobrassinolide bismethaneboronate |
| Alternate Name(s) |
(6aS,8S,9R)-1-[(1S,2R,3R,4S,6E)-6-boryl-2,3-dihydroxy-4-isopropyl-1-methyl-6-(vinylborylene)hexyl]-8,9-dihydroxy-10a,12a-dimethylhexadecahydro-6H-indeno[4,5-d][2]benzoxepin-6-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H52B2O6 |
| InChI |
InChI=1S/C31H52B2O6/c1-7-33-26(32)12-18(16(2)3)28(37)27(36)17(4)20-8-9-21-19-15-39-29(38)23-13-24(34)25(35)14-31(23,6)22(19)10-11-30(20,21)5/h7,16-25,27-28,34-37H,1,8-15,32H2,2-6H3/t17-,18-,19?,20?,21?,22?,23+,24-,25+,27+,28+,30?,31?/m0/s1 |
| InChIKey |
XZOXBYSBRLKXNG-MLLWZFCCSA-N |
| Molecular Weight |
542.371 g/mol |
| SMILES |
BC(C[C@]([C@]([C@@]([C@](C1C2(CCC3C4([C@@](C(OCC3C2CC1)=O)(C[C@@]([C@@](C4)(O)[H])(O)[H])[H])C)C)(C)[H])(O)[H])(O)[H])(C(C)C)[H])=BC=C |
| SPLASH |
splash10-014i-0902000000-004a399cd6cb756ed901 |
| Source of Spectrum |
M-32-63-4 |
| Wiley ID |
1404865 |
