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

Catalog ID
STL530020
SMILES O=C1C=C2C([C@@]3([C@H]1C[C@H]1OC(O[C@H]1C3)(C)C)C)CC[C@]1(C2=CCC1[C@@]1(C)OC(OC1CCC(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 C33H50O6 MW 542.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H50O6/c1-28(2,35)14-13-27-33(9,39-30(5,6)38-27)26-11-10-20-19-16-23(34)22-17-24-25(37-29(3,4)36-24)18-32(22,8)21(19)12-15-31(20,26)7/h10,16,21-22,24-27,35H,11-15,17-18H2,1-9H3/t21?,22-,24+,25-,26?,27?,31-,32+,33+/m0/s1
InChIKey
SGRMGMQDZAYBRV-JMYWTJNSSA-N
Synonyms

(2~(R)4~(S)8~(R)10~(R)18~(R))17((4~(R))5(3hydroxy3methylbutyl)224trimethyl13dioxolan4yl)26618tetramethyl57dioxapentacyclo(11700^(210)0^(48)0^(1418))icosa1214dien11one
(5aR6aR9aS10aR12aR)1((4R)5(3hydroxy3methylbutyl)224trimethyl13dioxolan4yl)8810a12atetramethyl125a66a9a1010a10b111212adodecahydro5Hcyclopenta(78)phenanthro(23d)(13)dioxol5one
(5aR6aR9aS10aR12aR)1((4R)5(3hydroxy3methylbutyl)224trimethyl13dioxolan4yl)8810a12atetramethyl5a66a9a1010a10b111212adecahydro1Hcyclopenta(78)phenanthro(23d)(13)dioxol5(2H)one
16402696
D)(13)DIOXOL5ONE
InChI=1SC33H50O6c128(235)14132733(93930(56)3827)26111020191623(34)22172425(3729(34)3624)1832(228)21(19)121531(2026)7h10162122242735H11151718H219H3t21?2224+2526?27?3132+33+m0s1
MFCD06494187
O=C1C=C2C((C@@)3((C@H)1C(C@H)1OC(O(C@H)1C3)(C)C)C)CC(C@)1(C2=CCC1(C@@)1(C)OC(OC1CCC(O)(C)C)(C)C)C
ZINC000070692398
ZINC000070692401

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Available files

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