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ent-sandaracopimaradien-3beta-ol

PropertiesImage
MNX_IDMNXM145668 Image of MNXM145668
referencechebi:78255
formulaC20H32O
global charge0
mol weight288.475
InChIKeyATQOOBSXQVRQPY-GNVJSZRZSA-N
InChIInChI=1S/C20H32O/c1-6-19(4)11-9-15-14(13-19)7-8-16-18(2,3)17(21)10-12-20(15,16)5/h6,13,15-17,21H,1,7-12H2,2-5H3/t15-,16-,17-,19-,20+/m1/s1
SMILESC=C[C@@]1(C)C=C2CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)[C@@H]2CC1
MNX internals
InChI (mnx)InChI=1/C20H32O/c1-6-19(4)11-9-15-14(13-19)7-8-16-18(2,3)17(21)10-12-20(15,16)5/h6,13,15-17,21H,1,7-12H2,2-5H3/t15-,16-,17-,19-,20+/m1/s1 Image of MNXM145668
SMILES (mnx)[CH2:1]=[CH:6][C@:19]1([CH3:4])[CH2:11][CH2:9][C@@H:15]2[C:14](=[CH:13]1)[CH2:7][CH2:8][C@@H:16]1[C:18]([CH3:2])([CH3:3])[C@H:17]([OH:21])[CH2:10][CH2:12][C@@:20]21[CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)13
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:78255
chebi:78255
ATQOOBSXQVRQPY-GNVJSZRZSA-N 		ent-sandaracopimaradien-3beta-ol
(3alpha,5beta,9beta,10alpha)-pimara-8(14),15-dien-3-ol
3alpha-hydroxy-ent-sandaracopimaradiene

seed.compound:cpd35374
seedM:cpd35374
ATQOOBSXQVRQPY-GNVJSZRZSA-N 		3alpha-hydroxy-ent-sandaracopimardiene
ent-sandaracopimaradien-3beta-ol

kegg.compound:C21560
keggC:C21560
ATQOOBSXQVRQPY-GNVJSZRZSA-N 		ent-Sandaracopimaradien-3beta-ol
(3R,4aR,4bR,7S,10aS)-7-Ethenyl-1,1,4a,7-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-2-ol

sabiork.compound:30803
sabiorkM:30803
ATQOOBSXQVRQPY-GNVJSZRZSA-N 		ent-Sandaracopimaradien-3beta-ol
3alpha-Hydroxy-ent-sandaracopimaradiene

metacyc.compound:CPD-16610
metacycM:CPD-16610
ATQOOBSXQVRQPY-GNVJSZRZSA-N 		ent-sandaracopimaradien-3beta-ol
3alpha-hydroxy-ent-sandaracopimardiene

keggC:M_C21560
seedM:M_cpd35374 		secondary/obsolete/fantasy identifier