gaudichaudiic acid H (Q27134453)

(2E)-4-[(1S,3aR,5R,16aR)-8-hydroxy-6-methoxy-3,3,10,13,13-pentamethyl-15-(2-methylbut-3-en-2-yl)-7,17-dioxo-3a,4,5,6,6a,7-hexahydro-3H,13H-1,5-methanofuro[3,4-g]isochromeno[4,3-b]xanthen-1-yl]-2-methylbut-2-enoic acid (English)

retrieved

7 October 2016

chemical formula

C₃₉H₄₄O₉

1 reference

language of work or name

English

title

(2E)-4-[(1S,3aR,5R,16aR)-8-hydroxy-6-methoxy-3,3,10,13,13-pentamethyl-15-(2-methylbut-3-en-2-yl)-7,17-dioxo-3a,4,5,6,6a,7-hexahydro-3H,13H-1,5-methanofuro[3,4-g]isochromeno[4,3-b]xanthen-1-yl]-2-methylbut-2-enoic acid (English)

retrieved

7 October 2016

canonical SMILES

CC1=CC2=C(C=C1)C(OC3=C2C(=C4C(=O)C5C(C6CC7C5(C(C6=O)(OC7(C)C)CC=C(C)C(=O)O)OC4=C3C(C)(C)C=C)OC)O)(C)C

1 reference

language of work or name

English

title

(2E)-4-[(1S,3aR,5R,16aR)-8-hydroxy-6-methoxy-3,3,10,13,13-pentamethyl-15-(2-methylbut-3-en-2-yl)-7,17-dioxo-3a,4,5,6,6a,7-hexahydro-3H,13H-1,5-methanofuro[3,4-g]isochromeno[4,3-b]xanthen-1-yl]-2-methylbut-2-enoic acid (English)

retrieved

7 October 2016

isomeric SMILES

CC1=CC2=C(C=C1)C(OC3=C2C(=C4C(=O)C5C([C@H]6C[C@H]7[C@@]5([C@@](C6=O)(OC7(C)C)C/C=C(\C)/C(=O)O)OC4=C3C(C)(C)C=C)OC)O)(C)C

1 reference

language of work or name

English

title

(2E)-4-[(1S,3aR,5R,16aR)-8-hydroxy-6-methoxy-3,3,10,13,13-pentamethyl-15-(2-methylbut-3-en-2-yl)-7,17-dioxo-3a,4,5,6,6a,7-hexahydro-3H,13H-1,5-methanofuro[3,4-g]isochromeno[4,3-b]xanthen-1-yl]-2-methylbut-2-enoic acid (English)

retrieved

7 October 2016

Identifiers

InChI

InChI=1S/C39H44O9/c1-11-35(4,5)27-31-24(20-16-18(2)12-13-22(20)36(6,7)46-31)28(40)25-29(41)26-30(45-10)21-17-23-37(8,9)48-38(33(21)42,15-14-19(3)34(43)44)39(23,26)47-32(25)27/h11-14,16,21,23,26,30,40H,1,15,17H2,2-10H3,(H,43,44)/b19-14+/t21-,23-,26?,30?,38-,39-/m1/s1

1 reference

language of work or name

English

title

(2E)-4-[(1S,3aR,5R,16aR)-8-hydroxy-6-methoxy-3,3,10,13,13-pentamethyl-15-(2-methylbut-3-en-2-yl)-7,17-dioxo-3a,4,5,6,6a,7-hexahydro-3H,13H-1,5-methanofuro[3,4-g]isochromeno[4,3-b]xanthen-1-yl]-2-methylbut-2-enoic acid (English)

retrieved

7 October 2016

InChIKey

CKJQNWPJVMSWAZ-KWMSECQZSA-N

2 references

language of work or name

English

title

(2E)-4-[(1S,3aR,5R,16aR)-8-hydroxy-6-methoxy-3,3,10,13,13-pentamethyl-15-(2-methylbut-3-en-2-yl)-7,17-dioxo-3a,4,5,6,6a,7-hexahydro-3H,13H-1,5-methanofuro[3,4-g]isochromeno[4,3-b]xanthen-1-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

(2E)-4-[(1R,2R,21R,23S)-16-Hydroxy-20-methoxy-8,8,12,25,25-pentamethyl-5-(2-methyl-3-buten-2-yl)-18,22-dioxo-3,7,24-trioxaheptacyclo[19.4.1.0~2,19~.0~2,23~.0~4,17~.0~6,15~.0~9,14~]hexacosa-4(17),5,9,1 (English)

7 October 2016

2 references

language of work or name

English

title

(2E)-4-[(1S,3aR,5R,16aR)-8-hydroxy-6-methoxy-3,3,10,13,13-pentamethyl-15-(2-methylbut-3-en-2-yl)-7,17-dioxo-3a,4,5,6,6a,7-hexahydro-3H,13H-1,5-methanofuro[3,4-g]isochromeno[4,3-b]xanthen-1-yl]-2-methylbut-2-enoic acid (English)

retrieved

7 October 2016

matched by identifier from

InChIKey

CKJQNWPJVMSWAZ-KWMSECQZSA-N

Reaxys registry number

8750131

1 reference