Vitas-M small molecule compound
(5alpha,8xi,14xi,16xi,17xi)-3-hydroxyspirost-9(11)-en-12-one
Catalog ID
STL564429
SMILES CC1CC[C@@]2(OC1)OC1C([C@@H]2C)[C@@]2(C(C1)C1CC[C@@H]3[C@](C1=CC2=O)(C)CCC(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 C27H40O4 MW 428.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h13,15-19,21-22,24,28H,5-12,14H2,1-4H3/t15?,16-,17-,18?,19?,21?,22?,24?,25-,26+,27+/m0/s1InChIKey
YLZUMNXGXFXZNQ-YQFCHWDISA-NSynonyms
(2aS2R4S5R6aS8aS8bR9S11aS12bS)4hydroxy56a8a9tetramethyl12a33445566a68a8b911a1212a12boctadecahydrospiro(naphtho(2145)indeno(21b)furan102pyran)8(2H)one
(5alpha8xi14xi16xi17xi)3hydroxyspirost9(11)en12one
(6R7S9S13S18S)16hydroxy57913tetramethylspiro(5oxapentacyclo(108002904801318)icos11ene62oxane)10one
139292162
C(C@@H)1CC(C@@)2(OC1)O(C@@H)1(C@H)((C@@H)2C)(C@@)2(C(C1)(C@@H)1CC(C@@H)3(C@)(C1=CC2=O)(C)CC(C@@H)(C3)O)C
InChI=1SC27H40O4c11571027(301415)16(2)2422(3127)12211965171118(28)8925(173)20(19)1323(29)26(2124)4h13151921222428H51214H214H3t15?161718?19?21?22?24?2526+27+m0s1
ZINC001848443751
ZINC001848443754
Check stock
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Check stock on Vitas-MAvailable files
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