8,8a-epoxymorellic acid (Q27134958)

(2Z)-4-[(2S,3aR,6S,6aR)-13-hydroxy-5,5,10,10-tetramethyl-8-(3-methylbut-2-en-1-yl)-3,14-dioxo-1a,2,3,3a-tetrahydro-10H,14H-2,6-methanofuro[3,2-g]oxireno[k]pyrano[3,2-b]xanthen-6(5H)-yl]-2-methylbut-2-enoic acid (English)

retrieved

7 October 2016

chemical formula

C₃₃H₃₆O₉

1 reference

language of work or name

English

title

(2Z)-4-[(2S,3aR,6S,6aR)-13-hydroxy-5,5,10,10-tetramethyl-8-(3-methylbut-2-en-1-yl)-3,14-dioxo-1a,2,3,3a-tetrahydro-10H,14H-2,6-methanofuro[3,2-g]oxireno[k]pyrano[3,2-b]xanthen-6(5H)-yl]-2-methylbut-2-enoic acid (English)

retrieved

7 October 2016

canonical SMILES

CC(=CCC1=C2C(=C(C3=C1OC(C=C3)(C)C)O)C(=O)C45C(O4)C6CC7(C5(O2)C(C6=O)OC7(C)C)CC=C(C)C(=O)O)C

1 reference

language of work or name

English

title

(2Z)-4-[(2S,3aR,6S,6aR)-13-hydroxy-5,5,10,10-tetramethyl-8-(3-methylbut-2-en-1-yl)-3,14-dioxo-1a,2,3,3a-tetrahydro-10H,14H-2,6-methanofuro[3,2-g]oxireno[k]pyrano[3,2-b]xanthen-6(5H)-yl]-2-methylbut-2-enoic acid (English)

retrieved

7 October 2016

isomeric SMILES

CC(=CCC1=C2C(=C(C3=C1OC(C=C3)(C)C)O)C(=O)C45C(O4)[C@@H]6C[C@@]7([C@@]5(O2)[C@H](C6=O)OC7(C)C)C/C=C(/C)\C(=O)O)C

1 reference

language of work or name

English

title

(2Z)-4-[(2S,3aR,6S,6aR)-13-hydroxy-5,5,10,10-tetramethyl-8-(3-methylbut-2-en-1-yl)-3,14-dioxo-1a,2,3,3a-tetrahydro-10H,14H-2,6-methanofuro[3,2-g]oxireno[k]pyrano[3,2-b]xanthen-6(5H)-yl]-2-methylbut-2-enoic acid (English)

retrieved

7 October 2016

Identifiers

InChI

InChI=1S/C33H36O9/c1-15(2)8-9-18-23-17(11-12-29(4,5)39-23)21(34)20-24(18)40-33-27-22(35)19(26-32(33,42-26)25(20)36)14-31(33,30(6,7)41-27)13-10-16(3)28(37)38/h8,10-12,19,26-27,34H,9,13-14H2,1-7H3,(H,37,38)/b16-10-/t19-,26?,27+,31+,32?,33+/m1/s1

1 reference

language of work or name

English

title

(2Z)-4-[(2S,3aR,6S,6aR)-13-hydroxy-5,5,10,10-tetramethyl-8-(3-methylbut-2-en-1-yl)-3,14-dioxo-1a,2,3,3a-tetrahydro-10H,14H-2,6-methanofuro[3,2-g]oxireno[k]pyrano[3,2-b]xanthen-6(5H)-yl]-2-methylbut-2-enoic acid (English)

retrieved

7 October 2016

InChIKey

DHCUJGJZVIRMQU-ZZBIGSJJSA-N

2 references

language of work or name

English

title

(2Z)-4-[(2S,3aR,6S,6aR)-13-hydroxy-5,5,10,10-tetramethyl-8-(3-methylbut-2-en-1-yl)-3,14-dioxo-1a,2,3,3a-tetrahydro-10H,14H-2,6-methanofuro[3,2-g]oxireno[k]pyrano[3,2-b]xanthen-6(5H)-yl]-2-methylbut-2-enoic acid (English)

retrieved

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

language of work or name

English

title

(2Z)-4-[(1S,2R,18S,20R)-12-Hydroxy-8,8,22,22-tetramethyl-5-(3-methyl-2-buten-1-yl)-14,19-dioxo-3,7,16,21-tetraoxaheptacyclo[16.4.1.0~2,15~.0~2,20~.0~4,13~.0~6,11~.0~15,17~]tricosa-4(13),5,9,11-tetraen (English)

7 October 2016

2 references

language of work or name

English

title

(2Z)-4-[(2S,3aR,6S,6aR)-13-hydroxy-5,5,10,10-tetramethyl-8-(3-methylbut-2-en-1-yl)-3,14-dioxo-1a,2,3,3a-tetrahydro-10H,14H-2,6-methanofuro[3,2-g]oxireno[k]pyrano[3,2-b]xanthen-6(5H)-yl]-2-methylbut-2-enoic acid (English)

retrieved

7 October 2016

matched by identifier from

InChIKey

DHCUJGJZVIRMQU-ZZBIGSJJSA-N

Reaxys registry number

11109913

1 reference