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(20S)-protopanaxatriol

Properties

Image

Occurences in reactions

MNX_ID

MNXM145876

	#reac
in my sandbox	0
in MNXref (generic)	13
in models (compartimentalized)	0

formula

C₃₀H₅₂O₄

charge

mass

476.38656

reference

chebi:75951

InChIKey

SHCBCKBYTHZQGZ-CJPZEJHVSA-N

InChI

InChI=1S/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3/t19-,20+,21-,22+,23-,24-,25-,27+,28+,29+,30-/m0/s1

SMILES

CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:75951 chebi:75951	(20S)-protopanaxatriol (3beta,6alpha,12beta)-dammar-24-ene-3,6,12,20-tetrol dammar-24-ene-3beta,6alpha,12beta,20-tetrol protopanaxatriol
seed.compound:cpd31295 seedM:cpd31295	Protopanaxatriol (3beta,6alpha,12beta)-dammar-24-ene-3,6,12,20-tetrol Dammar-24-ene-3beta,6alpha,12beta,20-tetrol protopanaxatriol protopanaxatriol-type ginsenoside aglycone
kegg.compound:C20716 keggC:C20716	Protopanaxatriol Dammar-24-ene-3beta,6alpha,12beta,20-tetrol
metacyc.compound:CPD-15447 metacycM:CPD-15447	protopanaxatriol (3beta,6alpha,12beta)-dammar-24-ene-3,6,12,20-tetrol protopanaxatriol-type ginsenoside aglycone
keggC:M_C20716 seedM:M_cpd31295	secondary/obsolete/fantasy identifier