Mrv0541 11211309412D 39 44 0 0 0 0 999 V2000 16.1606 -12.0313 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1606 -11.2062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1646 -12.8522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8736 -12.4417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8736 -10.7916 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3122 -9.9832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6040 -7.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5867 -11.2104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.5998 -8.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2998 -10.8040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8826 -9.2162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0958 -9.7428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8909 -7.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1695 -8.7933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5867 -12.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4557 -10.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3611 -8.9592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1695 -7.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5991 -9.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8695 -9.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4557 -12.4458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0792 -11.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5725 -10.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3088 -9.2287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7385 -11.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4557 -9.9707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7385 -12.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1564 -10.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3254 -7.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3039 -9.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4557 -13.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8993 -6.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0343 -7.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8180 -8.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8695 -11.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2956 -11.6249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5825 -10.3854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9208 -9.7386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5850 -8.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 1 0 0 0 4 1 1 0 0 0 0 2 5 1 0 0 0 0 10 6 1 0 0 0 0 7 9 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 8 10 1 0 0 0 0 14 11 1 0 0 0 0 6 12 1 0 0 0 0 13 18 1 0 0 0 0 17 14 1 0 0 0 0 4 15 1 0 0 0 0 2 16 1 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 19 20 1 0 0 0 0 5 20 1 0 0 0 0 1 21 1 0 0 0 0 10 22 1 0 0 0 0 23 22 1 0 0 0 0 24 9 2 0 0 0 0 25 27 1 0 0 0 0 26 16 2 0 0 0 0 21 27 1 0 0 0 0 2 28 1 1 0 0 0 29 7 1 0 0 0 0 6 30 1 1 0 0 0 21 31 1 1 0 0 0 32 13 1 0 0 0 0 33 29 1 0 0 0 0 17 34 1 6 0 0 0 5 35 1 6 0 0 0 10 36 1 6 0 0 0 8 37 1 1 0 0 0 12 38 1 6 0 0 0 14 39 1 6 0 0 0 4 3 1 1 0 0 0 25 16 1 0 0 0 0 5 8 1 0 0 0 0 6 19 1 0 0 0 0 12 23 1 0 0 0 0 13 7 2 0 0 0 0 M END > CHEBI:69124 > 2,3-dihydrowithaferin A > A withanolide that is the 2,3-dihydro derivative of withaferin A. It has been isolated from the aerial parts of Physalis longifolia. > 3 > (22R)-4beta,27-dihydroxy-5beta,6beta:22,26-diepoxyergost-24-ene-1,26-dione > C28H40O6 > 472.61360 > 472.28249 > 0 > C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)CCC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1 > InChI=1S/C28H40O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h15-16,18-21,23-24,29,31H,5-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1 > YRXCLNDPESBJHL-CKNDUULBSA-N > 6543749 > 22098611 $$$$