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CHEBI:173297 - Pubescenol

ChEBI IDCHEBI:173297
ChEBI NamePubescenol
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FormulaC32H40O10
Net Charge0
Average Mass584.662
Monoisotopic Mass584.26215
SMILESC=C1CC(OC(C)=O)C(=O)C(C)(C)/C=C/[C@@H](C)C(=O)C2(OC(C)=O)C[C@H](C)[C@H](Oc3ccccc3)[C@]2(O)[C@H]1OC(C)=O
InChIInChI=1S/C32H40O10/c1-18-14-15-30(7,8)27(37)25(39-21(4)33)16-19(2)28(40-22(5)34)32(38)29(41-24-12-10-9-11-13-24)20(3)17-31(32,26(18)36)42-23(6)35/h9-15,18,20,25,28-29,38H,2,16-17H2,1,3-8H3/b15-14+/t18-,20+,25?,28+,29+,31?,32-/m1/s1
InChIKeyMTGQAODUFPLLOP-IAXITCCYSA-N
ChEBI Ontology
Outgoing Relation(s)
Pubescenol (CHEBI:173297) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1S,2S,5R,6E,13S,13aS)-3a,13-diacetyloxy-13a-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-1-phenoxy-2,3,5,10,11,13-hexahydro-1H-cyclopenta[12]annulen-10-yl] acetate
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