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Pestalospirane B

PropertiesImage
MNX_IDMNXM107685 Image of MNXM107685
referencechebi:69699
formulaC24H24O6
global charge0
mol weight408.45
InChIKeyGWADQOOKXMSEMY-ICQFYHOOSA-N
InChIInChI=1S/C24H24O6/c1-15-23(11-9-17-5-3-7-21(25)19(17)13-27-23)30-16(2)24(29-15)12-10-18-6-4-8-22(26)20(18)14-28-24/h3-12,15-16,25-26H,13-14H2,1-2H3/t15-,16-,23+,24+/m1/s1
SMILESC[C@H]1O[C@@]2(C=CC3=CC=CC(O)=C3CO2)[C@@H](C)O[C@@]12C=CC1=CC=CC(O)=C1CO2
MNX internals
InChI (mnx)InChI=1/C24H24O6/c1-15-23(11-9-17-5-3-7-21(25)19(17)13-27-23)30-16(2)24(29-15)12-10-18-6-4-8-22(26)20(18)14-28-24/h3-12,15-16,25-26H,13-14H2,1-2H3/t15-,16-,23+,24+/m1/s1 Image of MNXM107685
SMILES (mnx)[CH3:1][C@@H:15]1[C@:23]2([CH:11]=[CH:9][C:17]3=[C:19]([CH2:13][O:27]2)[C:21]([OH:25])=[CH:7][CH:3]=[CH:5]3)[O:30][C@H:16]([CH3:2])[C@:24]2([CH:12]=[CH:10][C:18]3=[C:20]([CH2:14][O:28]2)[C:22]([OH:26])=[CH:8][CH:4]=[CH:6]3)[O:29]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:69699
chebi:69699
GWADQOOKXMSEMY-ICQFYHOOSA-N
Pestalospirane B