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(3aS,5aR,6aR,9aS,10aR,12aR)-8-ethyl-1-[(4R)-2-ethyl-5-(3-hydroxy-3-methylbutyl)-2,4-dimethyl-1,3-dioxolan-4-yl]-3a-hydroxy-8,10a,12a-trimethyl-1,2,3,3a,5a,6,6a,9a,10,10a,10b,11,12,12a-tetradecahydro-5H-cyclopenta[7,8]phenanthro[2,3-d][1,3]dioxol-5-one

Catalog ID
STL528981
SMILES CCC1(C)OC([C@@](O1)(C)C1CC[C@@]2([C@]1(C)CCC1C2=CC(=O)[C@H]2[C@]1(C)C[C@@H]1OC(O[C@@H]1C2)(C)CC)O)CCC(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 C35H56O7 MW 588.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H56O7/c1-10-32(7)39-25-19-23-24(36)18-22-21(30(23,5)20-26(25)40-32)12-16-31(6)27(13-17-35(22,31)38)34(9)28(14-15-29(3,4)37)41-33(8,11-2)42-34/h18,21,23,25-28,37-38H,10-17,19-20H2,1-9H3/t21?,23-,25+,26-,27?,28?,30+,31+,32?,33?,34+,35+/m0/s1
InChIKey
FESPYCKPOIXEIG-LZGYPNTPSA-N
Synonyms

(2~(R)4~(S)8~(R)10~(R)14~(S)18~(R))6ethyl17((4~(R))2ethyl5(3hydroxy3methylbutyl)24dimethyl13dioxolan4yl)14hydroxy2618trimethyl57dioxapentacyclo(11700^(210)0^(48)0^(1418))icos12en11one
(3aS5aR6aR9aS10aR12aR)8ethyl1((4R)2ethyl5(3hydroxy3methylbutyl)24dimethyl13dioxolan4yl)3ahydroxy810a12atrimethyl1233a5a66a9a1010a10b111212atetradecahydro5Hcyclopenta(78)phenanthro(23d)(13)dioxol5one
16405336
CCC1(C)OC((C@@)(O1)(C)C1CC(C@@)2((C@)1(C)CCC1C2=CC(=O)(C@H)2(C@)1(C)C(C@@H)1OC(O(C@@H)1C2)(C)CC)O)CCC(O)(C)C
HCYCLOPENTA(78)PHENANTHRO(23D)(13)DIOXOL5ONE
InChI=1SC35H56O7c11032(7)3925192324(36)182221(30(235)2026(25)4032)121631(6)27(131735(2231)38)34(9)28(141529(34)37)4133(8112)4234h18212325283738H10171920H219H3t21?2325+2627?28?30+31+32?33?34+35+m0s1
MFCD05730622
ZINC000253504824
ZINC000253504834

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Available files

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