Vitas-M small molecule compound

(8S,13S,17S)-13-methyl-17-(prop-1-yn-1-yl)-1,2,4,6,7,8,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-ol

Catalog ID
STL537005
SMILES CC#C[C@]1(O)CCC2[C@]1(C)CC=C1[C@H]2CCC2=C1CCC1(C2)OCCO1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C23H30O3 MW 354.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30O3/c1-3-9-22(24)11-8-20-19-5-4-16-15-23(25-13-14-26-23)12-7-17(16)18(19)6-10-21(20,22)2/h6,19-20,24H,4-5,7-8,10-15H2,1-2H3/t19-,20?,21+,22+/m1/s1
InChIKey
IABDMPHKMZWPIN-ZFYVGVSOSA-N
Synonyms

(8~(S)13~(S)17~(S))13methyl17prop1ynylspiro(12467812141516decahydrocyclopenta(a)phenanthrene3213dioxolane)17ol
(8S13S17S)13methyl17(prop1yn1yl)124678121314151617dodecahydrospiro(cyclopenta(a)phenanthrene32(13)dioxolan)17ol
16400540
CC#C(C@)1(O)CCC2(C@)1(C)CC=C1(C@H)2CCC2=C1CCC1(C2)OCCO1
InChI=1SC23H30O3c13922(24)118201954161523(2513142623)12717(16)18(19)61021(2022)2h6192024H45781015H212H3t1920?21+22+m1s1
MFCD05671591
ZINC000004073497
ZINC000004073498

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Available files

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