(Q27134956)

(2Z)-4-[(1R,3aS,5S,14aS)-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methylbut-2-en-1-yl)-7,15-dioxo-5,7-dihydro-3H,11H-1,5-methanofuro[3,4-g]pyrano[3,2-b]xanthen-3a(4H)-yl]-2-methylbut-2-enoic acid (English)

retrieved

7 October 2016

chemical formula

C₃₃H₃₆O₈

1 reference

language of work or name

English

title

(2Z)-4-[(1R,3aS,5S,14aS)-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methylbut-2-en-1-yl)-7,15-dioxo-5,7-dihydro-3H,11H-1,5-methanofuro[3,4-g]pyrano[3,2-b]xanthen-3a(4H)-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)C4=CC5CC6(C4(O2)C(C5=O)OC6(C)C)CC=C(C)C(=O)O)C

1 reference

language of work or name

English

title

(2Z)-4-[(1R,3aS,5S,14aS)-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methylbut-2-en-1-yl)-7,15-dioxo-5,7-dihydro-3H,11H-1,5-methanofuro[3,4-g]pyrano[3,2-b]xanthen-3a(4H)-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)C4=C[C@@H]5C[C@@]6([C@@]4(O2)[C@H](C5=O)OC6(C)C)C/C=C(/C)\C(=O)O)C

1 reference

language of work or name

English

title

(2Z)-4-[(1R,3aS,5S,14aS)-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methylbut-2-en-1-yl)-7,15-dioxo-5,7-dihydro-3H,11H-1,5-methanofuro[3,4-g]pyrano[3,2-b]xanthen-3a(4H)-yl]-2-methylbut-2-enoic acid (English)

retrieved

7 October 2016

Identifiers

InChI

InChI=1S/C33H36O8/c1-16(2)8-9-20-26-19(11-12-30(4,5)39-26)24(35)22-25(36)21-14-18-15-32(13-10-17(3)29(37)38)31(6,7)41-28(23(18)34)33(21,32)40-27(20)22/h8,10-12,14,18,28,35H,9,13,15H2,1-7H3,(H,37,38)/b17-10-/t18-,28+,32+,33+/m1/s1

1 reference

language of work or name

English

title

(2Z)-4-[(1R,3aS,5S,14aS)-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methylbut-2-en-1-yl)-7,15-dioxo-5,7-dihydro-3H,11H-1,5-methanofuro[3,4-g]pyrano[3,2-b]xanthen-3a(4H)-yl]-2-methylbut-2-enoic acid (English)

retrieved

7 October 2016

InChIKey

ITPZQGLNWWAFMF-FXQQNLISSA-N

2 references

language of work or name

English

title

(2Z)-4-[(1R,3aS,5S,14aS)-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methylbut-2-en-1-yl)-7,15-dioxo-5,7-dihydro-3H,11H-1,5-methanofuro[3,4-g]pyrano[3,2-b]xanthen-3a(4H)-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,2S,17S,19R)-12-Hydroxy-8,8,21,21-tetramethyl-5-(3-methyl-2-buten-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0~2,15~.0~2,19~.0~4,13~.0~6,11~]docosa-4(13),5,9,11,15-pentaen-1-yl]-2-meth (English)

7 October 2016

2 references

language of work or name

English

title

(2Z)-4-[(1R,3aS,5S,14aS)-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methylbut-2-en-1-yl)-7,15-dioxo-5,7-dihydro-3H,11H-1,5-methanofuro[3,4-g]pyrano[3,2-b]xanthen-3a(4H)-yl]-2-methylbut-2-enoic acid (English)

retrieved

7 October 2016

matched by identifier from

InChIKey

ITPZQGLNWWAFMF-FXQQNLISSA-N

ChEBI ID

66401

mapping relation type

exact match

2 references

stated in

ChEBI