Search MNXref
 Feedback

Hypocrellol B

PropertiesImage
MNX_IDMNXM105669 Image of MNXM105669
referencechebi:69623
formulaC32H50O4
global charge0
mol weight498.748
InChIKeyRIESYZPVSNASTD-RRZFRIRNSA-N
InChIInChI=1S/C32H50O4/c1-20(33)36-26-15-16-30(6)23-14-18-31(7)22(21-9-12-27(35-19-21)29(4,5)34)13-17-32(31,8)24(23)10-11-25(30)28(26,2)3/h10,14,21-22,25-27,34H,9,11-13,15-19H2,1-8H3/t21-,22+,25-,26-,27+,30+,31+,32-/m0/s1
SMILESCC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H]5CC[C@H](C(C)(C)O)OC5)CC[C@@]4(C)C3=CC[C@H]2C1(C)C
MNX internals
InChI (mnx)InChI=1/C32H50O4/c1-20(33)36-26-15-16-30(6)23-14-18-31(7)22(21-9-12-27(35-19-21)29(4,5)34)13-17-32(31,8)24(23)10-11-25(30)28(26,2)3/h10,14,21-22,25-27,34H,9,11-13,15-19H2,1-8H3/t21-,22+,25-,26-,27+,30+,31+,32-/m0/s1 Image of MNXM105669
SMILES (mnx)[CH3:1][C:20](=[O:33])[O:36][C@H:26]1[CH2:15][CH2:16][C@:30]2([CH3:6])[C:23]3=[CH:14][CH2:18][C@:31]4([CH3:7])[C@@H:22]([C@H:21]5[CH2:9][CH2:12][C@H:27]([C:29]([CH3:4])([CH3:5])[OH:34])[O:35][CH2:19]5)[CH2:13][CH2:17][C@@:32]4([CH3:8])[C:24]3=[CH:10][CH2:11][C@H:25]2[C:28]1([CH3:2])[CH3:3]
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:69623
chebi:69623
RIESYZPVSNASTD-RRZFRIRNSA-N
Hypocrellol B