Vitas-M small molecule compound
(1beta,3beta,8xi,9xi,14xi,16xi,17xi,22xi)-spirost-5-en-1,3-diol
Catalog ID
STL564680
SMILES CC1CCC2(OC1)OC1C([C@@H]2C)[C@@]2(C(C1)C1CC=C3[C@](C1CC2)(C)[C@H](O)C[C@@H](C3)O)C
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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 C27H42O4 MW 430.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,15-16,18-24,28-29H,6-14H2,1-4H3/t15?,16-,18+,19?,20?,21?,22?,23+,24?,25-,26-,27?/m0/s1InChIKey
QMQIQBOGXYYATH-VVSKUREYSA-NSynonyms
(1beta3beta8xi9xi14xi16xi17xi22xi)spirost5en13diol
(2R4R5R6R6aR8aS8bR9S11aS12bS)56a8a9tetramethyl133445566a6b6788a8b911a1212a12bicosahydrospiro(naphtho(2145)indeno(21b)furan102pyran)46diol
(7S9S13R14R16R)57913tetramethylspiro(5oxapentacyclo(108002904801318)icos18ene62oxane)1416diol
145705531
C(C@@H)1CC(C@@)2(OC1)O(C@@H)1(C@H)((C@@H)2C)(C@@)2(C(C1)(C@@H)1CC=C3(C@)(C1CC2)(C)(C@H)(O)C(C@@H)(C3)O)C
InChI=1SC27H42O4c11571027(301415)16(2)2422(3127)13211965171118(28)1223(29)26(174)20(19)8925(2124)3h5151618242829H614H214H3t15?1618+19?20?21?22?23+24?252627?m0s1
ZINC001848443688
ZINC001848443691
Check stock
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Check stock on Vitas-MAvailable files
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