(2S,3R,5R,9R,10R,13R,14S,17R)-17-[(2R,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

chemical compound

Wikidata entity: Q105276749

C₂₇H₄₄O₆ (P274)

Quantities

P2067mass464.313789128

P233 canonical SMILES String O=C1C=C2C(CCC3(C)C(CCC23O)C(C)C(O)CCC(O)(C)C)C4(C)CC(O)C(O)CC14 ???
P703 found in taxon ... Q1366539 (Manduca sexta) Manduca sexta
P703 found in taxon ... Q17063758 (Blechnum vulcanicum) Blechnum vulcanicum
P703 found in taxon ... Q42734784 (Cranfillia vulcanica) Cranfillia vulcanica
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String C[C@@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C ???
P3364 stereoisomer of ... Q139085 (ecdysone) ecdysone
P3364 stereoisomer of ... Q27149575 (3-Epiecdysone) 3-Epiecdysone
P3364 stereoisomer of ... Q105276750 (22-Iso-ecdysone) 22-Iso-ecdysone
P279 subclass of ... Q105276757 (2,3,14,22,25-Pentahydroxycholest-7-en-6-one) 2,3,14,22,25-Pentahydroxycholest-7-en-6-one
External Ids
P3117DSSTox substance IDDTXSID2020553
P234InChIInChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16-,17+,19+,20-,22-,23+,25-,26-,27-/m1/s1
P235InChIKeyUPEZCKBFRMILAV-HXUSGADLSA-N
P662PubChem CID165339208

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