Vitas-M small molecule compound

(5alpha,8xi,9xi,14xi,16xi,17xi)-furost-20(22)-en-3,26-diol

Catalog ID
STL564704
SMILES OCC(CCC1=C(C)C2C(O1)CC1[C@]2(C)CCC2C1CC[C@@H]1[C@]2(C)CCC(C1)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 C27H44O3 MW 416.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H44O3/c1-16(15-28)5-8-23-17(2)25-24(30-23)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16,18-22,24-25,28-29H,5-15H2,1-4H3/t16?,18-,19?,20?,21?,22?,24?,25?,26-,27-/m0/s1
InChIKey
IQDKIMJGXXRZGR-RSCITCGISA-N
Synonyms

(2aS4S6aS8aS8bS11aS12bR)10((R)4hydroxy3methylbutyl)6a8a9trimethyl22a34566a6b788a8b11a1212a12bhexadecahydro1Hnaphtho(2145)indeno(21b)furan4ol
(5alpha8xi9xi14xi16xi17xi)furost20(22)en326diol
(9S13S18S)6(4hydroxy3methylbutyl)7913trimethyl5oxapentacyclo(108002904801318)icos6en16ol
145705536
InChI=1SC27H44O3c116(1528)582317(2)2524(3023)14222076181319(29)91126(183)21(20)101227(2225)4h16182224252829H515H214H3t16?1819?20?21?22?24?25?2627m0s1
OC(C@@H)(CCC1=C(C)(C@H)2(C@@H)(O1)CC1(C@)2(C)CCC2(C@H)1CC(C@@H)1(C@)2(C)CC(C@@H)(C1)O)C
ZINC001848443604
ZINC001848443607

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.