Search MNXref
 Feedback

(22R,23R)-28-homocastasterone 22-O-sulfate

MNXM13509 is deprecated and here replaced by MNXM1367945
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1367945 Image of MNXM1367945
referencemetacycM:CPD-11828
formulaC29H49O8S
global charge-1
mol weight557.77
InChIKeyMXFYIPZNENWPSK-NKOPCKDMSA-M
InChIInChI=1S/C29H50O8S/c1-7-17(15(2)3)26(33)27(37-38(34,35)36)16(4)19-8-9-20-18-12-23(30)22-13-24(31)25(32)14-29(22,6)21(18)10-11-28(19,20)5/h15-22,24-27,31-33H,7-14H2,1-6H3,(H,34,35,36)/p-1/t16-,17-,18-,19+,20-,21-,22+,24-,25+,26+,27+,28+,29+/m0/s1
SMILESCC[C@@H](C(C)C)[C@@H](O)[C@H](OS(=O)(=O)[O-])[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C29H50O8S/c1-7-17(15(2)3)26(33)27(37-38(34,35)36)16(4)19-8-9-20-18-12-23(30)22-13-24(31)25(32)14-29(22,6)21(18)10-11-28(19,20)5/h15-22,24-27,31-33H,7-14H2,1-6H3,(H,34,35,36)/t16-,17-,18-,19+,20-,21-,22+,24-,25+,26+,27+,28+,29+/m0/s1 Image of MNXM1367945
SMILES (mnx)[CH3:1][CH2:7][C@@H:17]([CH:15]([CH3:2])[CH3:3])[C@H:26]([C@@H:27]([C@@H:16]([CH3:4])[C@H:19]1[CH2:8][CH2:9][C@H:20]2[C@@H:18]3[CH2:12][C:23](=[O:30])[C@H:22]4[CH2:13][C@H:24]([OH:31])[C@H:25]([OH:32])[CH2:14][C@:29]4([CH3:6])[C@H:21]3[CH2:10][CH2:11][C@:28]12[CH3:5])[O:37][S:38]([OH:34])(=[O:35])=[O:36])[OH:33]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-11828
metacycM:CPD-11828
MXFYIPZNENWPSK-NKOPCKDMSA-M 		(22R,23R)-28-homocastasterone 22-O-sulfate

seed.compound:cpd23097
seedM:cpd23097
MXFYIPZNENWPSK-NKOPCKDMSA-M 		(22R,23R)-28-homocastasterone-22-O-sulfate
(22R,23R)-28-homocastasterone 22-O-sulfate

seedM:M_cpd23097 		secondary/obsolete/fantasy identifier