3,4-Dihydroxyestra-1,3,5(10)-trien-17-one-1,2,16,16-d4
CAS Registry Number®
81586-98-3
CAS Name
3,4-Dihydroxyestra-1,3,5(10)-trien-17-one-1,2,16,16-d4Molecular Formula
C18H18D4O3Molecular Mass
290.39Cite this Page
3,4-Dihydroxyestra-1,3,5(10)-trien-17-one-1,2,16,16-d4. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=81586-98-3 (retrieved ) (CAS RN: 81586-98-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1/i4D,6D,7D2
InChIKey
InChIKey=XQZVQQZZOVBNLU-RFZGAVBWSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=C(O)C(O)=C(C4[2H])[2H])(CC1)[H])[H])(CC(C2=O)([2H])[2H])[H]
Canonical SMILES
O=C1CCC2C3CCC4=C(O)C(O)=CC=C4C3CCC12C
Other Names for this Substance
- Estra-1,3,5(10)-trien-17-one-1,2,16,16-d4, 3,4-dihydroxy-
- 3,4-Dihydroxyestra-1,3,5(10)-trien-17-one-1,2,16,16-d4