Vitas-M small molecule compound

spirost-5-en-3-yl acetate

Catalog ID
STL146321
SMILES CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)CCC(C3)OC(=O)C)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 C29H44O4 MW 456.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H44O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26H,7-16H2,1-5H3
InChIKey
CZCROZIJKBXZDP-UHFFFAOYSA-N
Synonyms
1061-54-7
(2R4S5R6aR8aS8bR9S11aS12bS)56a8a9tetramethyl133445566a6b6788a8b911a1212a12bicosahydrospiro(naphtho(2145)indeno(21b)furan102pyran)4ylacetate
(3BETA25R)SPIROST5EN3YLACETATE
1061547
C(C@@H)1CC(C@@)2(OC1)O(C@@H)1(C@H)((C@@H)2C)(C@@)2(C(C1)(C@@H)1CC=C3(C@)(C1CC2)(C)CC(C@@H)(C3)OC(=O)C)C
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC(=O)C)C)C)C)OC1
DIOSGENINACETATE
InChI=1SC29H44O4c11781329(311617)18(2)2625(3329)15242276201421(3219(3)30)91127(204)23(22)101228(2426)5h617182126H716H215H3
MFCD01079903
NEODIOSGENIN(3BETA25S)ACETATE
spirost5en3ylacetate
ZINC000253500998
ZINC000253501004

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Available files

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