Vitas-M small molecule compound

spirost-5-en-3-ol

Catalog ID
STK801352
SMILES CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(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 C27H42O3 MW 414.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3
InChIKey
WQLVFSAGQJTQCK-UHFFFAOYSA-N
Synonyms
512-06-1
(25R)SPIROST5EN3BETAOL
(2R4S5R6aR6bS8aS8bR9S11aS12aS12bS)56a8a9tetramethyl133445566a6b6788a8b911a1212a12bicosahydrospiro(naphtho(2145)indeno(21b)furan102pyran)4ol
(8XI9XI10XI13XI14XI16XI17XI25R)SPIROST5EN3OL
22ALPHASPIROST5EN3BETAOL
25DSPIROST5EN3BETAOL
512061
520ALPHA22ALPHA25DSPIROSTEN3BETAOL
C(C@@H)1CC(C@@)2(OC1)O(C@@H)1(C@H)((C@@H)2C)(C@@)2((C@@H)(C1)(C@@H)1CC=C3(C@)((C@H)1CC2)(C)CC(C@@H)(C3)O)C
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1
InChI=1SC27H42O3c11671227(291516)17(2)2423(3027)14222065181319(28)81025(183)21(20)91126(2224)4h51617192428H615H214H3
MFCD01002142
NITOGENIN
SPIROST5EN3BETAOL(25R)
spirost5en3ol
SPIROST5EN3OL(3BETA25R)
SPIROST5EN3OL25R)
ZINC000253497602
ZINC000253497605

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Available files

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