Vitas-M small molecule compound
(8xi,9xi,14xi,16xi,17xi,22alpha)-spirosola-3,5-diene
Catalog ID
STL525668
SMILES CC1CC[C@@]2(NC1)OC1C([C@@H]2C)[C@@]2(C(C1)C1CC=C3[C@](C1CC2)(C)CCC=C3)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 C27H41NO MW 395.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H41NO/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24,28H,6,9-16H2,1-4H3/t17?,18-,20?,21?,22?,23?,24?,25-,26-,27+/m0/s1InChIKey
OYNIUJOJEWHJPN-PTOQDKQASA-NSynonyms
(2R5R6aR8aS8bR9S11aS12bS)56a8a9tetramethyl1566a6b788a8b911a1212a12btetradecahydrospiro(naphtho(2145)indeno(21b)furan102piperidine)
(6~(R)7~(S)9~(S)13~(R))57913tetramethylspiro(5oxapentacyclo(10800^(29)0^(48)0^(1318))icosa1618diene62piperidine)
(8xi9xi14xi16xi17xi22alpha)spirosola35diene
135639078
C(C@@H)1CC(C@@)2(NC1)O(C@@H)1(C@H)((C@@H)2C)(C@@)2(C(C1)(C@@H)1CC=C3(C@)(C1CC2)(C)CCC=C3)C
InChI=1SC27H41NOc117101427(281617)18(2)2423(2927)15222098197561225(193)21(20)111326(2224)4h5781718202428H6916H214H3t17?1820?21?22?23?24?252627+m0s1
MFCD01545561
ZINC000001626316
ZINC000299848920
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