16-Oxo-21-Episerratenediol

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Catalog Number ACM1194739519
CAS 1194739-51-9
IUPAC Name (1S,6R,8R,11R,12S,15S,16R,19S,21R)-8,19-dihydroxy-1,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-en-5-one
Molecular Weight 456.7
Molecular Formula C30H48O3
Canonical SMILES CC1(C2CCC3(CC4=CC(=O)C5C(C(CCC5(C4CCC3C2(CCC1O)C)C)O)(C)C)C)C
Inchi InChI=1S/C30H48O3/c1-26(2)21-10-13-28(5)17-18-16-20(31)25-27(3,4)24(33)11-14-29(25,6)19(18)8-9-22(28)30(21,7)15-12-23(26)32/h16,19,21-25,32-33H,8-15,17H2,1-7H3/t19-,21-,22-,23-,24+,25-,28-,29+,30-/m0/s1
InChIKey VNOKAWVKCFUZGK-DSBABLTJSA-N
Purity 98%
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