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(2beta,3beta,5beta,17beta)-2,3,14-trihydroxy-17-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]androst-7-en-6-one

Catalog ID
STL564977
SMILES O[C@H]1C[C@@]2(C)[C@@H](C[C@H]1O)C(=O)C=C1[C@@H]2CC[C@]2([C@@]1(O)CC[C@@H]2[C@@]1(C)OC(O[C@@H]1CCC(O)(C)C)(C)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 C30H48O7 MW 520.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H48O7/c1-25(2,34)11-10-24-29(7,37-26(3,4)36-24)23-9-13-30(35)18-14-20(31)19-15-21(32)22(33)16-27(19,5)17(18)8-12-28(23,30)6/h14,17,19,21-24,32-35H,8-13,15-16H2,1-7H3/t17-,19-,21+,22-,23-,24+,27+,28+,29+,30+/m0/s1
InChIKey
GXNNYSDWRVKVJY-VUYJMULXSA-N
Synonyms
22798-96-5
(2beta3beta5beta17beta)2314trihydroxy17((4R5R)5(3hydroxy3methylbutyl)224trimethyl13dioxolan4yl)androst7en6one
(2R3R5R10R13R14S17S)2314trihydroxy17((4R5R)5(3hydroxy3methylbutyl)224trimethyl13dioxolan4yl)1013dimethyl2345911121314151617dodecahydro1Hcyclopenta(a)phenanthren6(10H)one
(2S3R5R9R10R13R14S17S)2314trihydroxy17((4R5R)5(3hydroxy3methylbutyl)224trimethyl13dioxolan4yl)1013dimethyl234591112151617decahydro1Hcyclopenta(a)phenanthren6one
11060391
22798965
InChI=1SC30H48O7c125(234)11102429(73726(34)3624)2391330(35)181420(31)191521(32)22(33)1627(195)17(18)81228(2330)6h14171921243235H8131516H217H3t171921+222324+27+28+29+30+m0s1
MFCD32000863
O(C@@H)1C(C@@)2(C)(C@@H)(C(C@H)1O)C(=O)C=C1C2CC(C@)2((C@@)1(O)CC(C@@H)2(C@@)1(C)OC(O(C@@H)1CCC(O)(C)C)(C)C)C
ZINC000084739792

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Available files

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