achilleol B (Q27132634)

achilleol B (English)

(1R,3S)-3-[6-[(4aR,8aR)-2,4a,7,7-tetramethyl-3,4,5,6,8,8a-hexahydronaphthalen-1-yl]-3-methylhex-3-enyl]-2,2-dimethyl-4-methylidenecyclohexan-1-ol

7 October 2016

stereoisomer of

2 references

inferred from InChIKey

(1S,3R)-3-[(E)-6-[(4aR,8aS)-2,4a,7,7-tetramethyl-3,4,5,6,8,8a-hexahydronaphthalen-1-yl]-3-methylhex-3-enyl]-2,2-dimethyl-4-methylidenecyclohexan-1-ol

inferred from InChI

1 reference

(1R,3S)-3-[(E)-6-[(4aR,8aR)-2,4a,7,7-tetramethyl-3,4,5,6,8,8a-hexahydronaphthalen-1-yl]-3-methylhex-3-enyl]-2,2-dimethyl-4-methylidenecyclohexan-1-ol

inferred from InChI

1 reference

inferred from InChI

chemical formula

C₃₀H₅₀O

1 reference

achilleol B (English)

7 October 2016

canonical SMILES

CC1=C(C2CC(CCC2(CC1)C)(C)C)CCC=C(C)CCC3C(=C)CCC(C3(C)C)O

1 reference

achilleol B (English)

7 October 2016

isomeric SMILES

CC1=C([C@@H]2CC(CC[C@@]2(CC1)C)(C)C)CC/C=C(\C)/CC[C@@H]3C(=C)CC[C@@H](C3(C)C)O

1 reference

Achilleol B: a new tricyclic triterpene skeleton from Achillea odorata L

achilleol B (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C30H50O/c1-21(12-14-25-23(3)13-15-27(31)29(25,6)7)10-9-11-24-22(2)16-17-30(8)19-18-28(4,5)20-26(24)30/h10,25-27,31H,3,9,11-20H2,1-2,4-8H3/b21-10+/t25-,26+,27+,30+/m1/s1

1 reference

achilleol B (English)

OPDQSNQDIGJUIR-FEHKDBFISA-N

7 October 2016

InChIKey

2 references

achilleol B (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Achilleol B (English)

7 October 2016

2 references

achilleol B (English)

matched by identifier from

7 October 2016

InChIKey

OPDQSNQDIGJUIR-FEHKDBFISA-N

ChEBI ID

63461

mapping relation type

2 references

achilleol B (English)