Mrv1533004171514212D 27 32 0 0 0 0 999 V2000 2.2986 -2.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6654 -2.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2545 -1.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2962 -3.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1511 -4.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3752 -4.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7444 -3.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8895 -2.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2301 -5.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -5.3852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8609 -5.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6368 -5.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2676 -5.8878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0434 -5.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1885 -4.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5577 -4.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8685 -3.4993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6914 -3.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2861 -2.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0787 -3.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7793 -2.7805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4101 -3.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0993 -4.0765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2764 -4.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6817 -4.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8892 -4.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7819 -4.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 2 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 20 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 15 26 1 0 0 0 0 18 26 1 0 0 0 0 16 27 1 0 0 0 0 5 27 1 0 0 0 0 12 27 2 0 0 0 0 M END > NP0263238 > NP-MRD > CC1(C)OC2=C(C=C1)C(O)=CC1=C2C2OC3=CC4=C(OCO4)C=C3C2CO1 > InChI=1S/C21H18O6/c1-21(2)4-3-10-13(22)6-17-18(20(10)27-21)19-12(8-23-17)11-5-15-16(25-9-24-15)7-14(11)26-19/h3-7,12,19,22H,8-9H2,1-2H3 > SAYHRUJEFVKWNL-UHFFFAOYSA-N > C21H18O6 > 366.369 > 366.1103383 > 6 > 45 > 38.27017460947944 > 1 > 1 > 0 > 1 > 5,5-dimethyl-4,12,18,20,24-pentaoxahexacyclo[12.10.0.0²,¹¹.0³,⁸.0¹⁵,²³.0¹⁷,²¹]tetracosa-2(11),3(8),6,9,15,17(21),22-heptaen-9-ol > 3.56 > 3.1907515316666664 > -3.99 > 0 > 6 > 0 > 9.249488645354749 > -4.255056331372932 > 66.38000000000001 > 96.7582 > 0 > 1 > 3.74e-02 g/l > 5,5-dimethyl-4,12,18,20,24-pentaoxahexacyclo[12.10.0.0²,¹¹.0³,⁸.0¹⁵,²³.0¹⁷,²¹]tetracosa-2(11),3(8),6,9,15,17(21),22-heptaen-9-ol > 0 > NP0263238 > 5,5-dimethyl-4,12,18,20,24-pentaoxahexacyclo[12.10.0.0²,¹¹.0³,⁸.0¹⁵,²³.0¹⁷,²¹]tetracosa-2,6,8,10,15,17(21),22-heptaen-9-ol $$$$