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17-Norkaurane-3,18-diol, 13-(hydroxymethyl-D2)-, (3.alpha.,4.alpha.,8.beta.,13.beta.)-
SpectraBase Compound ID 1beV8S9xxD3
InChI InChI=1S/C20H34O3/c1-17-6-5-16(23)18(2,12-21)14(17)4-8-20-10-9-19(11-20,13-22)7-3-15(17)20/h14-16,21-23H,3-13H2,1-2H3/t14-,15-,16-,17+,18+,19-,20+/m1/s1/i13D2
InChIKey YKWSLCCNIGSRLW-NPOORMSGSA-N
Mol Weight 324.5 g/mol
Molecular Formula C20H322D2O3
Exact Mass 324.263348 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6RTXUK3ILdt
Name 17-Norkaurane-3,18-diol, 13-(hydroxymethyl-D2)-, (3.alpha.,4.alpha.,8.beta.,13.beta.)-
Alternate Name(s) 1H-2,10a-ethanophenanthrene, 17-norkaurane-3,18-diol deriv. ent-(17,17,2H2)beyerane-3.beta.,17,19-triol
CAS Registry Number 82053-81-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32D2O3
InChI InChI=1S/C20H34O3/c1-17-6-5-16(23)18(2,12-21)14(17)4-8-20-10-9-19(11-20,13-22)7-3-15(17)20/h14-16,21-23H,3-13H2,1-2H3/t14-,15-,16-,17+,18+,19-,20+/m1/s1/i13D2
InChIKey YKWSLCCNIGSRLW-NPOORMSGSA-N
Molecular Weight 324.501 g/mol
SMILES OC[C@]1([C@]2([C@](CC[C@]1(O)[H])([C@@]1([C@]3(CC2)C[C@](CC1)(C(O)([2D])[2D])CC3)[H])C)[H])C
SPLASH splash10-05br-0091000000-eca364c4f27120ca9fde
Source of Spectrum B-35-619-0
Wiley ID 1322063