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(2E,9bR)-2-[1-(abieta-8,11,13-trien-18-ylamino)ethylidene]-6-acetyl-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione

Catalog ID
STL547732
SMILES CC(c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CN/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)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 C38H45NO6 MW 611.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H45NO6/c1-19(2)23-10-12-25-24(16-23)11-13-27-36(6,14-9-15-37(25,27)7)18-39-21(4)29-26(41)17-28-38(8,35(29)44)31-33(43)20(3)32(42)30(22(5)40)34(31)45-28/h10,12,16-17,19,27,39,42-43H,9,11,13-15,18H2,1-8H3/b29-21+/t27-,36-,37+,38-/m0/s1
InChIKey
XLLCZKSDIVPBCY-XHQZAPCNSA-N
Synonyms

(2~(E)9~(b)~(R))2(1(((1~(R)4~(a)~(S)10~(a)~(R))14~(a)dimethyl7propan2yl23491010~(a)hexahydrophenanthren1yl)methylamino)ethylidene)6acetyl79dihydroxy89~(b)dimethyldibenzofuran13dione
(2E9bR)2(1(abieta81113trien18ylamino)ethylidene)6acetyl79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
(RE)6acetyl79dihydroxy2(1((((1R4aS10aR)7isopropyl14adimethyl12344a91010aoctahydrophenanthren1yl)methyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
110207321
CC(c1ccc2c(c1)CC(C@@H)1(C@)2(C)CCC(C@@)1(C)CNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C)C
InChI=1SC38H45NO6c119(2)2310122524(1623)11132736(61491537(2527)7)183921(4)2926(41)172838(835(29)44)3133(43)20(3)32(42)30(22(5)40)34(31)4528h101216171927394243H911131518H218H3b2921+t273637+38m0s1
ZINC000253414421
ZINC253414421

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Available files

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