Vitas-M small molecule compound

(5alpha,8xi,9xi,14xi,16xi,17xi)-3,26-dihydroxyfurost-20(22)-en-12-one

Catalog ID
STL564418
SMILES OCC(CCC1=C(C)C2C(O1)CC1[C@]2(C)C(=O)CC2C1CC[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 C27H42O4 MW 430.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H42O4/c1-15(14-28)5-8-22-16(2)25-23(31-22)12-21-19-7-6-17-11-18(29)9-10-26(17,3)20(19)13-24(30)27(21,25)4/h15,17-21,23,25,28-29H,5-14H2,1-4H3/t15?,17-,18?,19?,20?,21?,23?,25?,26-,27+/m0/s1
InChIKey
YHGXHXTZNBXLKF-HHWVAFRWSA-N
Synonyms

(2aS4S6aS8aS12bR)4hydroxy10((R)4hydroxy3methylbutyl)6a8a9trimethyl2a34566a6b78a8b11a1212a12btetradecahydro1Hnaphtho(2145)indeno(21b)furan8(2H)one
(5alpha8xi9xi14xi16xi17xi)326dihydroxyfurost20(22)en12one
(9S13S18S)16hydroxy6(4hydroxy3methylbutyl)7913trimethyl5oxapentacyclo(108002904801318)icos6en10one
145705494
InChI=1SC27H42O4c115(1428)582216(2)2523(3122)12211976171118(29)91026(173)20(19)1324(30)27(2125)4h15172123252829H514H214H3t15?1718?19?20?21?23?25?2627+m0s1
OC(C@@H)(CCC1=C(C)C2C(O1)CC1(C@)2(C)C(=O)CC2(C@H)1CC(C@@H)1(C@)2(C)CC(C@@H)(C1)O)C
ZINC001848443747
ZINC001848443750

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Available files

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